BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51057306 C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC1=O)C(=O)NCC(O)=O)cc(CSC[C@H](NC(=O)CN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N2)c3 InChI=1S/C59H82N16O15S3/c1-32-50(82)70-39(21-33-10-12-37(76)13-11-33)53(85)71-41(52(84)66-25-49(80)81)30-92-27-35-18-34-19-36(20-35)28-93-31-42(57(89)75-17-5-9-45(75)58(90)74-16-4-7-43(74)54(86)67-32)72-55(87)44-8-3-15-73(44)56(88)38(6-2-14-63-59(61)62)68-48(79)24-64-47(78)23-65-51(83)40(29-91-26-34)69-46(77)22-60/h10-13,18-20,32,38-45,76H,2-9,14-17,21-31,60H2,1H3,(H,64,78)(H,65,83)(H,66,84)(H,67,86)(H,68,79)(H,69,77)(H,70,82)(H,71,85)(H,72,87)(H,80,81)(H4,61,62,63)/t32-,38?,39-,40-,41-,42-,43-,44-,45-/m0/s1 GGDVXOIJAKRXLL-IFWVOVRYSA-N 50431213 CHEMBL2332604 Coagulation factor XII 1200 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431213&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71716975 164160088 CHEMBL2332604 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057309 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C57H89N17O15S3/c1-27(2)20-36(48(80)72-44(31(6)75)53(85)65-30(5)47(79)70-39(25-91)50(82)69-37(56(88)89)21-32-23-62-34-13-8-7-12-33(32)34)68-51(83)41-15-11-19-74(41)55(87)40(26-92)71-52(84)42-16-10-18-73(42)54(86)35(14-9-17-61-57(59)60)67-46(78)29(4)63-45(77)28(3)64-49(81)38(24-90)66-43(76)22-58/h7-8,12-13,23,27-31,35-42,44,62,75,90-92H,9-11,14-22,24-26,58H2,1-6H3,(H,63,77)(H,64,81)(H,65,85)(H,66,76)(H,67,78)(H,68,83)(H,69,82)(H,70,79)(H,71,84)(H,72,80)(H,88,89)(H4,59,60,61)/t28-,29-,30-,31+,35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1 VQIXEONPCVIPEX-YMCSAOMISA-N 50431216 CHEMBL2332605 Coagulation factor XII 33500 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431216&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718816 164160091 CHEMBL2332605 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057310 CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O InChI=1S/C59H93N17O19S3/c1-27(2)21-37(58(94)95)70-52(88)39(25-97)72-50(86)35(22-31-12-14-32(78)15-13-31)69-55(91)45(30(5)77)74-48(84)33(16-17-43(61)79)66-53(89)41-10-8-20-76(41)57(93)40(26-98)73-54(90)42-11-7-19-75(42)56(92)34(9-6-18-64-59(62)63)67-47(83)29(4)65-49(85)36(23-44(80)81)68-51(87)38(24-96)71-46(82)28(3)60/h12-15,27-30,33-42,45,77-78,96-98H,6-11,16-26,60H2,1-5H3,(H2,61,79)(H,65,85)(H,66,89)(H,67,83)(H,68,87)(H,69,91)(H,70,88)(H,71,82)(H,72,86)(H,73,90)(H,74,84)(H,80,81)(H,94,95)(H4,62,63,64)/t28-,29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1 CPGAVJUCCDNHKB-JHDDENTRSA-N 50431217 CHEMBL2332611 Coagulation factor XII 20500 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431217&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71716977 164160092 CHEMBL2332611 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057312 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O InChI=1S/C61H96N20O16S3/c1-32(2)22-39(52(88)73-36(16-17-47(64)83)51(87)75-40(23-33-12-14-35(82)15-13-33)53(89)78-43(29-99)55(91)74-38(60(96)97)8-3-4-18-62)77-56(92)45-10-7-21-81(45)59(95)44(30-100)79-57(93)46-11-6-20-80(46)58(94)37(9-5-19-68-61(65)66)71-49(85)27-69-50(86)41(24-34-26-67-31-70-34)76-54(90)42(28-98)72-48(84)25-63/h12-15,26,31-32,36-46,82,98-100H,3-11,16-25,27-30,62-63H2,1-2H3,(H2,64,83)(H,67,70)(H,69,86)(H,71,85)(H,72,84)(H,73,88)(H,74,91)(H,75,87)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H,96,97)(H4,65,66,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 ZDDQEDZFEFRPKZ-HDKAIKTRSA-N 50431218 CHEMBL2332606 Coagulation factor XII 11200 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431218&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71716372 164160093 CHEMBL2332606 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057313 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C61H96N18O15S3/c1-30(2)22-39(51(84)68-33(6)50(83)73-40(23-31(3)4)53(86)76-43(28-96)55(88)72-38(60(93)94)17-18-47(63)80)75-56(89)45-15-11-21-79(45)59(92)44(29-97)77-57(90)46-16-10-20-78(46)58(91)37(14-9-19-66-61(64)65)71-49(82)32(5)69-52(85)41(74-54(87)42(27-95)70-48(81)25-62)24-34-26-67-36-13-8-7-12-35(34)36/h7-8,12-13,26,30-33,37-46,67,95-97H,9-11,14-25,27-29,62H2,1-6H3,(H2,63,80)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,72,88)(H,73,83)(H,74,87)(H,75,89)(H,76,86)(H,77,90)(H,93,94)(H4,64,65,66)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 ZLONQBFTCKHPBT-VYBOCCTBSA-N 50431219 CHEMBL2332616 Coagulation factor XII 10200 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431219&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718819 164160094 CHEMBL2332616 C02716 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057316 NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(O)=O InChI=1S/C57H94N20O18S3/c58-16-2-1-7-34(55(94)95)69-50(89)39(27-97)74-48(87)35(21-29-12-14-30(81)15-13-29)70-49(88)37(25-80)72-52(91)41-10-5-19-76(41)54(93)42-11-6-20-77(42)53(92)40(28-98)75-47(86)33(9-4-18-65-57(62)63)68-46(85)32(8-3-17-64-56(60)61)67-43(82)22-66-45(84)36(24-79)71-51(90)38(26-96)73-44(83)31(59)23-78/h12-15,31-42,78-81,96-98H,1-11,16-28,58-59H2,(H,66,84)(H,67,82)(H,68,85)(H,69,89)(H,70,88)(H,71,90)(H,72,91)(H,73,83)(H,74,87)(H,75,86)(H,94,95)(H4,60,61,64)(H4,62,63,65)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 UWLJPBYBFVRKIJ-SWELWFFMSA-N 50431222 CHEMBL2332607::Scsgrrcppsyck Coagulation factor XII 7800 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431222&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718213 164160097 CHEMBL2332607 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057317 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C55H88N16O16S4/c1-28(2)20-34(66-48(80)37(25-88)63-42(74)22-56)45(77)60-23-43(75)62-33(8-5-16-59-55(57)58)52(84)70-17-6-10-41(70)51(83)69-39(27-90)53(85)71-18-7-9-40(71)50(82)64-32(15-19-91-4)46(78)61-29(3)44(76)65-35(21-30-11-13-31(73)14-12-30)47(79)68-38(26-89)49(81)67-36(24-72)54(86)87/h11-14,28-29,32-41,72-73,88-90H,5-10,15-27,56H2,1-4H3,(H,60,77)(H,61,78)(H,62,75)(H,63,74)(H,64,82)(H,65,76)(H,66,80)(H,67,81)(H,68,79)(H,69,83)(H,86,87)(H4,57,58,59)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 UKPZKTRZJRZOAR-HWAWXGHQSA-N 50431223 CHEMBL2332615 Coagulation factor XII 5000 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431223&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71717597 164160098 CHEMBL2332615 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057318 CSCC[C@H](NC(=O)[C@H](CS)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C60H90N16O16S4/c1-32(2)48(56(88)71-40(28-77)51(83)69-38(24-34-15-17-35(78)18-16-34)50(82)72-42(30-94)53(85)70-39(59(91)92)25-33-10-5-4-6-11-33)74-55(87)45-14-9-22-76(45)58(90)43(31-95)73-54(86)44-13-8-21-75(44)57(89)37(12-7-20-64-60(62)63)66-47(80)27-65-49(81)36(19-23-96-3)68-52(84)41(29-93)67-46(79)26-61/h4-6,10-11,15-18,32,36-45,48,77-78,93-95H,7-9,12-14,19-31,61H2,1-3H3,(H,65,81)(H,66,80)(H,67,79)(H,68,84)(H,69,83)(H,70,85)(H,71,88)(H,72,82)(H,73,86)(H,74,87)(H,91,92)(H4,62,63,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,48-/m0/s1 TVDLVAIMVYHXBW-UKBPAYCISA-N 50431224 CHEMBL2332613 Coagulation factor XII 5000 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431224&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71720640 164160099 CHEMBL2332613 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057319 C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C58H93N21O19S3/c1-27(68-46(87)34(21-43(61)84)72-51(92)37(24-99)75-45(86)30(59)14-15-42(60)83)44(85)69-31(6-2-16-66-57(62)63)54(95)78-18-4-9-41(78)53(94)77-39(26-101)55(96)79-19-5-8-40(79)52(93)74-36(23-81)49(90)73-35(22-80)48(89)71-33(20-28-10-12-29(82)13-11-28)47(88)76-38(25-100)50(91)70-32(56(97)98)7-3-17-67-58(64)65/h10-13,27,30-41,80-82,99-101H,2-9,14-26,59H2,1H3,(H2,60,83)(H2,61,84)(H,68,87)(H,69,85)(H,70,91)(H,71,89)(H,72,92)(H,73,90)(H,74,93)(H,75,86)(H,76,88)(H,77,94)(H,97,98)(H4,62,63,66)(H4,64,65,67)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 KWPCGMJHVHARPJ-LFSSYAHASA-N 50431215 CHEMBL2332612 Coagulation factor XII 4700 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431215&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718214 164160090 CHEMBL2332612 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057321 C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3 InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 JRYGECRIWPBGKA-NTWVPDEFSA-N 50431220 CHEMBL2332610 Coagulation factor XII 3100 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431220&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71716976 164160095 CHEMBL2332610 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057322 C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O InChI=1S/C55H87N17O16S3/c1-29(44(77)66-35(22-30-13-15-31(74)16-14-30)47(80)68-37(27-90)48(81)65-34(54(87)88)8-2-3-17-56)63-49(82)39-10-6-20-71(39)53(86)41-12-7-21-72(41)52(85)38(28-91)69-50(83)40-11-5-19-70(40)51(84)33(9-4-18-60-55(58)59)64-43(76)24-61-42(75)23-62-46(79)36(26-89)67-45(78)32(57)25-73/h13-16,29,32-41,73-74,89-91H,2-12,17-28,56-57H2,1H3,(H,61,75)(H,62,79)(H,63,82)(H,64,76)(H,65,81)(H,66,77)(H,67,78)(H,68,80)(H,69,83)(H,87,88)(H4,58,59,60)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 REGISJIVVXCRPS-HWAWXGHQSA-N 50431221 CHEMBL2332614 Coagulation factor XII 3100 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431221&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71716373 164160096 CHEMBL2332614 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057335 CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C55H91N17O19S3/c1-24(2)17-32(46(82)69-36(22-93)49(85)68-34(20-73)54(90)91)67-45(81)30(13-10-16-60-55(58)59)64-47(83)33(18-29-11-8-7-9-12-29)66-43(79)25(3)62-48(84)35(21-92)63-39(78)19-61-44(80)31(14-15-38(56)77)65-52(88)41(27(5)75)72-53(89)42(28(6)76)71-50(86)37(23-94)70-51(87)40(57)26(4)74/h7-9,11-12,24-28,30-37,40-42,73-76,92-94H,10,13-23,57H2,1-6H3,(H2,56,77)(H,61,80)(H,62,84)(H,63,78)(H,64,83)(H,65,88)(H,66,79)(H,67,81)(H,68,85)(H,69,82)(H,70,87)(H,71,86)(H,72,89)(H,90,91)(H4,58,59,60)/t25-,26+,27+,28+,30-,31-,32-,33-,34-,35-,36-,37-,40-,41-,42-/m0/s1 DVVDZZBBFOAWRK-YTBIUMBYSA-N 50431225 CHEMBL2332609 Coagulation factor XII >75000 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431225&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718818 164160100 CHEMBL2332609 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51057336 CC(C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C74H106N20O15S3/c1-39(2)60(77)70(105)91-55(37-111)69(104)93-61(40(3)4)71(106)87-50(25-26-58(76)95)64(99)86-49(22-12-13-27-75)63(98)88-51(30-41-16-6-5-7-17-41)65(100)90-54(36-110)68(103)89-53(32-43-34-82-47-21-11-9-19-45(43)47)67(102)85-48(23-14-28-80-74(78)79)62(97)83-35-59(96)84-52(31-42-33-81-46-20-10-8-18-44(42)46)66(101)92-56(38-112)72(107)94-29-15-24-57(94)73(108)109/h5-11,16-21,33-34,39-40,48-57,60-61,81-82,110-112H,12-15,22-32,35-38,75,77H2,1-4H3,(H2,76,95)(H,83,97)(H,84,96)(H,85,102)(H,86,99)(H,87,106)(H,88,98)(H,89,103)(H,90,100)(H,91,105)(H,92,101)(H,93,104)(H,108,109)(H4,78,79,80)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1 UQJJFGSTWVWOKQ-RNSVJONMSA-N 50431226 CHEMBL2332608 Coagulation factor XII >75000 ChEMBL 10.1021/jm400236j 10.7270/Q2GX4CXF 23586812 Baeriswyl, V; Calzavarini, S; Gerschheimer, C; Diderich, P; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne EPFL http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431226&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71718817 164160101 CHEMBL2332608 C02248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41324 O=C1Nc2ccccc2C1=O InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) JXDYKVIHCLTXOP-UHFFFAOYSA-N 11022 2,3-dihydro-1H-indole-2,3-dione::CHEMBL326294::Isatin::Isatin (Compound 1) Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11022&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search ISN 1OJA,5OJI,5RTF,2XFP,2BK5,6AF9,6AF5,6AFA,6AFB,5PH6 7054 46509351 27539 CHEMBL326294 DB02095 C11129 ZINC02047514 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41325 CN1C(=O)C(=O)c2ccccc12 InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3 VCYBVWFTGAZHGH-UHFFFAOYSA-N 10304 1-methyl-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60569::Isatin analog 8::N‐methylindol‐2,3‐dione (Compound 2) Coagulation factor XII 38200 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10304&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72V 6TSE,6AFG,5PH7 16358 46510931 CHEMBL60569 ZINC01675288 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41326 OCN1C(=O)C(=O)c2ccccc12 InChI=1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2 MHGOPQDELUOKPE-UHFFFAOYSA-N 22783 1-(hydroxymethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 3 Coagulation factor XII 34500 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22783&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 39834 49846597 ZINC01786893 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41327 ClN1C(=O)C(=O)c2ccccc12 InChI=1S/C8H4ClNO2/c9-10-6-4-2-1-3-5(6)7(11)8(10)12/h1-4H ZGPFGHSOYPBCGI-UHFFFAOYSA-N 22784 1-chloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 4 Coagulation factor XII 29200 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22784&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137777 49846598 ZINC02584513 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41328 BrCCN1C(=O)C(=O)c2ccccc12 InChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2 SJALPCXFOSGNST-UHFFFAOYSA-N 22785 1-(2-bromoethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 5 Coagulation factor XII 1580 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22785&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3542734 49846599 ZINC02668691 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41329 ICCN1C(=O)C(=O)c2ccccc12 InChI=1S/C10H8INO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2 OBYVXAUONRVYHA-UHFFFAOYSA-N 22786 1-(2-iodoethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 6 Coagulation factor XII 740 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22786&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4135273 49846600 ZINC05738958 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41330 CC(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3 LPGDEHBASRKTDG-UHFFFAOYSA-N 22787 1-acetyl-2,3-dihydro-1H-indole-2,3-dione::Acetylisatin (Compound 7)::Isatin-based compound, 7 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22787&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11321 49846601 16050 C02172 ZINC01529372 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41331 ClCC(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C10H6ClNO3/c11-5-8(13)12-7-4-2-1-3-6(7)9(14)10(12)15/h1-4H,5H2 QIIJWWPCEHPDIJ-UHFFFAOYSA-N 22788 1-(2-chloroacetyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 8 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22788&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4350924 49846602 ZINC03162913 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41332 CCC(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C11H9NO3/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3 IHNYAHBLLCMRCD-UHFFFAOYSA-N 22789 1-propanoyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 9 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22789&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 589576 49846603 ZINC03086180 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41333 CCCC(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C12H11NO3/c1-2-5-10(14)13-9-7-4-3-6-8(9)11(15)12(13)16/h3-4,6-7H,2,5H2,1H3 LYWOFWNKZLWLPZ-UHFFFAOYSA-N 22790 1-butanoyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 10 Coagulation factor XII 68200 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22790&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3794313 49846604 ZINC03160706 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41334 OC(=O)CN1C(=O)C(=O)c2ccccc12 InChI=1S/C10H7NO4/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10(11)15/h1-4H,5H2,(H,12,13) KYAMYNWIAQNFEG-UHFFFAOYSA-N 22791 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid::Isatin-based compound, 11 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22791&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 43402 49846605 ZINC01605509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41335 NC(=O)CN1C(=O)C(=O)c2ccccc12 InChI=1S/C10H8N2O3/c11-8(13)5-12-7-4-2-1-3-6(7)9(14)10(12)15/h1-4H,5H2,(H2,11,13) PFDMWGKCXRICRV-UHFFFAOYSA-N 22792 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide::Isatin-based compound, 12 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22792&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1906162 49846606 ZINC02282726 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41336 O=C1N(c2ccccc2C1=O)c1ccccc1 InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H UWCPWBIMRYXUOU-UHFFFAOYSA-N 22793 1‐phenylindole‐2,3‐dione (Compound 6)::1-phenyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 13 Coagulation factor XII 950 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22793&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 12884 49846607 ZINC01657403 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41337 O=C1N(Cc2ccccc2)c2ccccc2C1=O InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2 SIISFRLGYDVIRG-UHFFFAOYSA-N 22794 1-benzyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 14 Coagulation factor XII 870 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22794&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3AK 4KWF 264734 49846608 ZINC01657402 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41338 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2 VEBLIIOSJXGVAW-UHFFFAOYSA-N 22795 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 15 Coagulation factor XII 32 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22795&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 277990 49846609 ZINC01715654 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41339 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2 KGRJPLRFGLMQMV-UHFFFAOYSA-N 22796 1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 16::cid_1901244 Coagulation factor XII 67 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22796&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1901244 49846610 ZINC02276110 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41340 Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3 UFTXSYLWLUWMAC-UHFFFAOYSA-N 22797 1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 17 Coagulation factor XII 1080 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22797&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2305233 49846611 ZINC03123067 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41341 Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc23)cc1C InChI=1S/C18H18N2O2/c1-11-8-13(3)15(9-12(11)2)19-10-20-16-7-5-4-6-14(16)17(21)18(20)22/h4-9,19H,10H2,1-3H3 NKKWAKKVEVLEPX-UHFFFAOYSA-N 22798 1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 18 Coagulation factor XII 2880 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22798&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731127 49846612 ZINC04361459 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41342 CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C17H16N2O2/c1-2-12-7-9-13(10-8-12)18-11-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-10,18H,2,11H2,1H3 RSHQIUJQSSPXSC-UHFFFAOYSA-N 22799 1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 19 Coagulation factor XII 410 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22799&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731733 49846613 ZINC03070850 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41343 CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C19H20N2O2/c1-19(2,3)13-8-10-14(11-9-13)20-12-21-16-7-5-4-6-15(16)17(22)18(21)23/h4-11,20H,12H2,1-3H3 CUJLSJKIJGUGKA-UHFFFAOYSA-N 22800 1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 20 Coagulation factor XII 610 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22800&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731902 49846614 ZINC04361886 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41344 COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC InChI=1S/C18H18N2O5/c1-23-14-8-11(9-15(24-2)17(14)25-3)19-10-20-13-7-5-4-6-12(13)16(21)18(20)22/h4-9,19H,10H2,1-3H3 PMOXSSDYTPGESZ-UHFFFAOYSA-N 22801 1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 21 Coagulation factor XII 2690 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22801&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731732 49846615 ZINC04361821 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41345 O=C1N(CNc2ccc3ccccc3c2)c2ccccc2C1=O InChI=1S/C19H14N2O2/c22-18-16-7-3-4-8-17(16)21(19(18)23)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2 RGIFBNSLZLAVPT-UHFFFAOYSA-N 22802 1-[(naphthalen-2-ylamino)methyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 22 Coagulation factor XII 110 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22802&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731126 49846616 ZINC04361457 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41346 Clc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2 WHPTVTWMXGFSRJ-UHFFFAOYSA-N 22803 1-{[(4-chlorophenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 23 Coagulation factor XII 200 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22803&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2147394 49846617 ZINC02709443 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41347 Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12 InChI=1S/C15H11BrN2O2/c16-11-6-2-3-7-12(11)17-9-18-13-8-4-1-5-10(13)14(19)15(18)20/h1-8,17H,9H2 YTOQIXBNOAUXJW-UHFFFAOYSA-N 22804 1-{[(2-bromophenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 24 Coagulation factor XII 47 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22804&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2731904 49846618 ZINC04361889 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41348 Brc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C15H11BrN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2 ZAQVKSRGAWOLLX-UHFFFAOYSA-N 22805 1-{[(4-bromophenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 25 Coagulation factor XII 170 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22805&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4338240 49846619 ZINC02164418 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41349 Oc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)cc1 InChI=1S/C16H12N2O4/c19-11-7-5-10(6-8-11)17-14(20)9-18-13-4-2-1-3-12(13)15(21)16(18)22/h1-8,19H,9H2,(H,17,20) AKBZVUUQHVAIOA-UHFFFAOYSA-N 22806 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-hydroxyphenyl)acetamide::Isatin-based compound, 26 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22806&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3329233 49846620 ZINC05668517 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41350 Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)c1 InChI=1S/C17H14N2O3/c1-11-5-4-6-12(9-11)18-15(20)10-19-14-8-3-2-7-13(14)16(21)17(19)22/h2-9H,10H2,1H3,(H,18,20) UTYQTGGBFCQOTL-UHFFFAOYSA-N 22807 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide::Isatin-based compound, 27::LOR-NOR-30067bb9-8 Coagulation factor XII 5510 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22807&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1713189 49846621 ZINC02025788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41351 CCc1cccc2NC(=O)C(=O)c12 InChI=1S/C10H9NO2/c1-2-6-4-3-5-7-8(6)9(12)10(13)11-7/h3-5H,2H2,1H3,(H,11,12,13) CKFAWBMSCAGKKE-UHFFFAOYSA-N 22808 4-ethyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 28 Coagulation factor XII 37900 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22808&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 13827082 49846622 ZINC02518370 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41352 Clc1cccc2NC(=O)C(=O)c12 InChI=1S/C8H4ClNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12) HSYFISNDMZKGRS-UHFFFAOYSA-N 22809 4-chloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 29 Coagulation factor XII 7770 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22809&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 96047 49846623 ZINC01681616 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41353 Cc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12) VAJCSPZKMVQIAP-UHFFFAOYSA-N 22810 5-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 30 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22810&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11840 49846624 ZINC02034456 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41354 COc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12) DMHGXMPXHPOXBF-UHFFFAOYSA-N 22811 5-methoxy-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 31 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22811&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 38333 49846625 ZINC02007434 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41355 Fc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) GKODDAXOSGGARJ-UHFFFAOYSA-N 22812 5-fluoro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 32 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22812&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72R 6AFC 236566 49846626 ZINC01671161 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41356 Clc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) XHDJYQWGFIBCEP-UHFFFAOYSA-N 22813 5-chloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 33 Coagulation factor XII 14900 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22813&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2HQ 4N95,5G4Q,5PHL 87203 49846627 ZINC01722141 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41357 Brc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) MBVCESWADCIXJN-UHFFFAOYSA-N 22814 5-bromo-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 34::LOR-NEU-c8f11034-3 Coagulation factor XII 13300 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22814&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6889 49846628 ZINC02041212 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41358 Ic1ccc2NC(=O)C(=O)c2c1 InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) OEUGDMOJQQLVAZ-UHFFFAOYSA-N 22815 5-iodo-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 35 Coagulation factor XII 22800 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22815&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 88695 49846629 ZINC03909323 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41359 FC(F)(F)Oc1ccc2NC(=O)C(=O)c2c1 InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15) XHAJMVPMNOBILF-UHFFFAOYSA-N 22816 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 36 Coagulation factor XII 7940 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22816&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2732752 49846630 ZINC02557084 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41360 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12) UNMYHYODJHKLOC-UHFFFAOYSA-N 22817 5-nitro-2,3-dihydro-1H-indole-2,3-dione::CHEMBL118305::Isatin-based compound, 37 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22817&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4669250 49846631 CHEMBL118305 ZINC03860649 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41361 CC(=C)CN1C(=O)C(=O)c2cc(Br)ccc12 InChI=1S/C12H10BrNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5H,1,6H2,2H3 RUGKDKWVOXRCGI-UHFFFAOYSA-N 22818 5-bromo-1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 38 Coagulation factor XII 280 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22818&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1755771 49846632 ZINC02099787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41362 CCc1ccc2C(=O)C(=O)Nc2c1 InChI=1S/C10H9NO2/c1-2-6-3-4-7-8(5-6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13) HLRUCDIVVJMXEB-UHFFFAOYSA-N 22819 6-ethyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 39 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22819&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 13827083 49846633 ZINC02518371 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41363 Clc1ccc2C(=O)C(=O)Nc2c1 InChI=1S/C8H4ClNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12) RVXLBLSGEPQBIO-UHFFFAOYSA-N 22820 6-chloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 40 Coagulation factor XII 29700 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22820&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 241331 49846634 ZINC01679939 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41364 Cc1cccc2C(=O)C(=O)Nc12 InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12) UEHZKEABUOAZSH-UHFFFAOYSA-N 22821 7-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 41 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22821&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72S 6AFD 14313 49846635 ZINC02039874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41365 Fc1cccc2C(=O)C(=O)Nc12 InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12) HGBGVEOXPHGSOS-UHFFFAOYSA-N 22822 7-fluoro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 42 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22822&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 586418 49846636 ZINC02574884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41366 Clc1cccc2C(=O)C(=O)Nc12 InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12) MPLXQMMMGDYXIT-UHFFFAOYSA-N 22823 7-chloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 43 Coagulation factor XII 9550 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22823&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 344135 49846637 ZINC01593654 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41367 COc1cccc2C(=O)C(=O)Nc12 InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)10-9(12)8(5)11/h2-4H,1H3,(H,10,11,12) URXIUXOJSICGOD-UHFFFAOYSA-N 22824 7-methoxy-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 44 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22824&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4088910 49846638 ZINC02735427 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41368 FC(F)(F)c1cccc2C(=O)C(=O)Nc12 InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15) MXLDJTXXAYVWDF-UHFFFAOYSA-N 22825 7-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 45 Coagulation factor XII 33400 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22825&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72T 6AFE 604575 49846639 ZINC02487385 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41369 OC(=O)c1cccc2C(=O)C(=O)Nc12 InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12) ROODQCZSWXEDJL-UHFFFAOYSA-N 22826 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid::CHEMBL375078::Isatin-based compound, 46 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22826&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2779383 49846640 CHEMBL375078 ZINC02496760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41370 Cc1ccc(C)c2C(=O)C(=O)Nc12 InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13) VYRDPBOVRAVNKT-UHFFFAOYSA-N 22827 4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 47 Coagulation factor XII 30800 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22827&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3264931 49846641 ZINC02169013 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41371 Cc1cc2C(=O)C(=O)Nc2c(C)c1 InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13) HFZSCCJTJGWTDZ-UHFFFAOYSA-N 22828 5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 48 Coagulation factor XII 84600 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22828&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 38296 49846642 ZINC02007479 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41372 Clc1ccc2NC(=O)C(=O)c2c1Cl InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13) WWSWHYAXEFLETD-UHFFFAOYSA-N 22829 4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 49 Coagulation factor XII 2560 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22829&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5139980 49846643 ZINC04530445 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41373 Clc1cc2NC(=O)C(=O)c2c(Cl)c1 InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13) CGCVHJCZBIYRQC-UHFFFAOYSA-N 22830 4,6-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 50 Coagulation factor XII 620 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22830&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 251908 49846644 ZINC01698777 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41374 Clc1ccc(Cl)c2C(=O)C(=O)Nc12 InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13) NUXYYWOWNFEMNH-UHFFFAOYSA-N 22831 4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 51 Coagulation factor XII 650 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22831&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2734793 49846645 ZINC02169010 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41375 Clc1cc2NC(=O)C(=O)c2cc1Cl InChI=1S/C8H3Cl2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13) KIFKRDLEAQUAAW-UHFFFAOYSA-N 22832 5,6-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 52 Coagulation factor XII 16600 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22832&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11009341 49846646 ZINC14979614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41376 Clc1cc2C(=O)C(=O)Nc2c(Cl)c1 InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13) AYGGQJHJRFZDFH-UHFFFAOYSA-N 22833 5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 53::cid_80771 Coagulation factor XII 4080 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22833&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 80771 49846647 ZINC01628160 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41377 Clc1ccc2C(=O)C(=O)Nc2c1Cl InChI=1S/C8H3Cl2NO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13) XTXIILHWOQZVAQ-UHFFFAOYSA-N 22834 6,7-dichloro-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 54 Coagulation factor XII 21800 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22834&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16786802 49846648 ZINC14979616 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41378 Cc1ccc(Cl)c2C(=O)C(=O)Nc12 InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13) MWCJCUFHPFXQLS-UHFFFAOYSA-N 22835 4-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 55 Coagulation factor XII 17200 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22835&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1810509 49846649 ZINC02169011 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41379 Cc1cc(Cl)cc2C(=O)C(=O)Nc12 InChI=1S/C9H6ClNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13) LDFQLYHDZZPAGN-UHFFFAOYSA-N 22836 5-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 56 Coagulation factor XII 21800 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22836&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 366710 49846650 ZINC01624453 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41380 Cc1c2NC(=O)C(=O)c2ccc1Cl InChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) SFWRUGVSPIELCW-UHFFFAOYSA-N 22837 6-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 57 Coagulation factor XII 53500 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22837&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4513067 49846651 ZINC02169014 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41381 Cc1cc2C(=O)C(=O)Nc2cc1Br InChI=1S/C9H6BrNO2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) DQZFCBOXZKQQPM-UHFFFAOYSA-N 22838 6-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 58 Coagulation factor XII 7410 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22838&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1718647 49846652 ZINC02052963 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41382 O=C1N(CN2CCSCC2)c2ccccc2C1=O InChI=1S/C13H14N2O2S/c16-12-10-3-1-2-4-11(10)15(13(12)17)9-14-5-7-18-8-6-14/h1-4H,5-9H2 VUDXQUPHRIDGMU-UHFFFAOYSA-N 22839 1-(thiomorpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 59 Coagulation factor XII 22200 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22839&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3531512 49846653 ZINC25558173 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41383 O=C1N(CN2CCCCC2)c2ccccc2C1=O InChI=1S/C14H16N2O2/c17-13-11-6-2-3-7-12(11)16(14(13)18)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2 SUNRAOPHWRLAPV-UHFFFAOYSA-N 22840 1-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 60 Coagulation factor XII 27400 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22840&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 262695 49846654 ZINC53151231 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42667 CC(C)NC(=O)c1cc2cc(C)ccc2oc1=O InChI=1S/C14H15NO3/c1-8(2)15-13(16)11-7-10-6-9(3)4-5-12(10)18-14(11)17/h4-8H,1-3H3,(H,15,16) HRBIDMDBDNPSIQ-UHFFFAOYSA-N 23534 3-Carboxamide-coumarin deriv., 19::6-methyl-2-oxo-N-(propan-2-yl)-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23534&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860432 50091795 ZINC40952850 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42668 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCC1 InChI=1S/C17H19NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,18,19) MQYNGRQULVAEST-UHFFFAOYSA-N 23535 3-Carboxamide-coumarin deriv., 21::N-cyclohexyl-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23535&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860433 50091796 ZINC40953157 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42669 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25) VWQOVCCGOGWSCR-UHFFFAOYSA-N 23536 3-Carboxamide-coumarin deriv., 22::N-cyclododecyl-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 33000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23536&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860434 50091797 ZINC40955744 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42670 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C21H23NO3/c1-12-2-3-18-16(4-12)8-17(20(24)25-18)19(23)22-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,23) GNLDGWVBEXHJII-UHFFFAOYSA-N 23537 3-Carboxamide-coumarin deriv., 23::N-(adamantan-1-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 29000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23537&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860435 50091798 ZINC40955747 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42671 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19) JUQDUATUBQVGDN-UHFFFAOYSA-N 23538 3-Carboxamide-coumarin deriv., 20::6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 23000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23538&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10423722 50091799 ZINC38816294 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42672 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccc1 InChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20) ZEYLUFWPGDCIRE-UHFFFAOYSA-N 23539 3-Carboxamide-coumarin deriv., 24::N-benzyl-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII >50000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23539&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860436 50091800 ZINC40955750 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42673 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccccc1 InChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21) AOIFLQZKMIKPNH-UHFFFAOYSA-N 23540 3-Carboxamide-coumarin deriv., 25::6-methyl-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide Coagulation factor XII >50000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23540&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860437 50091801 ZINC40431329 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42674 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cccc2ccccc12 InChI=1S/C22H17NO3/c1-14-9-10-20-17(11-14)12-19(22(25)26-20)21(24)23-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,23,24) AVGJZESYBKYYGZ-UHFFFAOYSA-N 23541 3-Carboxamide-coumarin deriv., 26::6-methyl-N-(naphthalen-1-ylmethyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 15000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23541&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860438 50091802 ZINC40430494 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42675 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cnc2ccccc2c1 InChI=1S/C20H14N2O3/c1-12-6-7-18-14(8-12)10-16(20(24)25-18)19(23)22-15-9-13-4-2-3-5-17(13)21-11-15/h2-11H,1H3,(H,22,23) VZCIAGCETBUMJW-UHFFFAOYSA-N 23542 3-Carboxamide-coumarin deriv., 27::6-methyl-2-oxo-N-(quinolin-3-yl)-2H-chromene-3-carboxamide Coagulation factor XII 8300 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23542&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860439 50091803 ZINC40827710 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42676 O=C(Nc1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C16H11NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h1-10H,(H,17,18) IMFBGZCBLOPVCJ-UHFFFAOYSA-N 23543 2-oxo-N-phenyl-2H-chromene-3-carboxamide::3-Carboxamide-coumarin deriv., 18::JMC521935 Compound 6 Coagulation factor XII 42000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23543&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 341782 50091804 ZINC00042178 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42677 ClCc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C17H12ClNO3/c18-10-11-6-7-15-12(8-11)9-14(17(21)22-15)16(20)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,19,20) RUYAFFMOCORBIV-UHFFFAOYSA-N 23544 3-Carboxamide-coumarin deriv., 4::6-(chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 17000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23544&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 402501 50091805 ZINC01660778 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42678 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C16H10N2O5/c19-15(17-11-4-2-1-3-5-11)13-9-10-8-12(18(21)22)6-7-14(10)23-16(13)20/h1-9H,(H,17,19) NDMMIVPXGAPYKM-UHFFFAOYSA-N 23545 3-Carboxamide-coumarin deriv., 35::6-nitro-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 22000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23545&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 739350 50091806 ZINC00174967 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42679 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C16H10BrNO3/c17-11-6-7-14-10(8-11)9-13(16(20)21-14)15(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19) PNVSYOXGZZSDQM-UHFFFAOYSA-N 23546 3-Carboxamide-coumarin deriv., 36::6-bromo-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 24000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23546&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 747661 50091807 ZINC00192816 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42680 Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C16H9Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20) RCCAMTUJQYPMED-UHFFFAOYSA-N 23547 3-Carboxamide-coumarin deriv., 41::6,8-dichloro-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 19000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23547&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 741761 50091808 ZINC00180530 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42681 Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C16H9BrClNO3/c17-13-8-10(18)6-9-7-12(16(21)22-14(9)13)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20) IUBMSLQOIUSAFA-UHFFFAOYSA-N 23548 3-Carboxamide-coumarin deriv., 44::8-bromo-6-chloro-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 4400 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23548&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860440 50091809 ZINC40429502 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42682 COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12 InChI=1S/C17H12BrNO4/c1-22-14-9-11(18)7-10-8-13(17(21)23-15(10)14)16(20)19-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20) LIBPMSGKTCOWCM-UHFFFAOYSA-N 23549 3-Carboxamide-coumarin deriv., 47::6-bromo-8-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII >50000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23549&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860441 50091810 ZINC26842740 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42683 COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12 InChI=1S/C17H13NO4/c1-21-14-9-5-6-11-10-13(17(20)22-15(11)14)16(19)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19) BAWGJERTTNYKTJ-UHFFFAOYSA-N 23550 3-Carboxamide-coumarin deriv., 40::8-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23550&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 754821 50091811 ZINC00208754 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42684 O=C(Nc1ccccc1)c1cc2c(ccc3ccccc23)oc1=O InChI=1S/C20H13NO3/c22-19(21-14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)24-20(17)23/h1-12H,(H,21,22) KGKLIFKFUPGIEE-UHFFFAOYSA-N 23551 3-Carboxamide-coumarin deriv., 48::5-oxo-N-phenyl-6-oxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),3,8,11,13-hexaene-4-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23551&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3123858 50091812 ZINC12062408 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42685 Oc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1 InChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19) BSNFVFFEEGERCW-UHFFFAOYSA-N 23552 3-Carboxamide-coumarin deriv., 37::7-hydroxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23552&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5400404 50091813 ZINC00193181 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42686 COc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1 InChI=1S/C17H13NO4/c1-21-13-8-7-11-9-14(17(20)22-15(11)10-13)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19) NCOKDWPQUADBOP-UHFFFAOYSA-N 23553 3-Carboxamide-coumarin deriv., 38::7-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23553&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3162843 50091814 ZINC00192815 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42687 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1 InChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-10-14-12-17(20(24)25-18(14)13-16)19(23)21-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,21,23) ISMFAIDKRMYKSY-UHFFFAOYSA-N 23554 3-Carboxamide-coumarin deriv., 39::7-(diethylamino)-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23554&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 747662 50091815 ZINC00192817 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42688 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1Cl InChI=1S/C17H12ClNO3/c1-10-6-7-15-11(8-10)9-12(17(21)22-15)16(20)19-14-5-3-2-4-13(14)18/h2-9H,1H3,(H,19,20) FPUSGBFAZGKFJK-UHFFFAOYSA-N 23555 3-Carboxamide-coumarin deriv., 31::N-(2-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 30000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23555&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860442 50091816 ZINC40953963 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42689 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1 InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20) OOLBPPCJUQNAAW-UHFFFAOYSA-N 23556 3-Carboxamide-coumarin deriv., 32::N-(3-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 31000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23556&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860443 50091817 ZINC40431165 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42690 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1 InChI=1S/C17H12ClNO3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20) KLSTVAQJRQHMEW-UHFFFAOYSA-N 23557 3-Carboxamide-coumarin deriv., 33::N-(4-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 34000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23557&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860444 50091818 ZINC40954603 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42691 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1C InChI=1S/C18H15NO3/c1-11-7-8-16-13(9-11)10-14(18(21)22-16)17(20)19-15-6-4-3-5-12(15)2/h3-10H,1-2H3,(H,19,20) FCSXWWMASMRVEL-UHFFFAOYSA-N 23558 3-Carboxamide-coumarin deriv., 28::6-methyl-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 32000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23558&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860445 50091819 ZINC40424127 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42692 Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 InChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20) BYMDGQZMHMAQIC-UHFFFAOYSA-N 23559 3-Carboxamide-coumarin deriv., 29::6-methyl-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 10000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23559&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860446 50091820 ZINC40431053 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42693 Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 InChI=1S/C18H15NO3/c1-11-3-6-14(7-4-11)19-17(20)15-10-13-9-12(2)5-8-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20) MFUWDBLYKLNULI-UHFFFAOYSA-N 23560 3-Carboxamide-coumarin deriv., 30::6-methyl-N-(4-methylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 20000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23560&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860447 50091821 ZINC40955216 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42694 O=C(Oc1ccccc1)c1cc2ccccc2oc1=O InChI=1S/C16H10O4/c17-15(19-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)18/h1-10H OZSQFAOGBXJZMW-UHFFFAOYSA-N 23561 3-Carboxylate-coumarin deriv., 1::phenyl 2-oxo-2H-chromene-3-carboxylate Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23561&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 40956 50091822 ZINC00188410 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42695 Cc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1 InChI=1S/C17H12O4/c1-11-7-8-15-12(9-11)10-14(17(19)21-15)16(18)20-13-5-3-2-4-6-13/h2-10H,1H3 HCRNCUJVGZPUPQ-UHFFFAOYSA-N 23562 3-Carboxylate-coumarin deriv., 2::phenyl 6-methyl-2-oxo-2H-chromene-3-carboxylate Coagulation factor XII 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23562&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10516846 50091823 ZINC26574795 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42696 ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1 InChI=1S/C17H11ClO4/c18-10-11-6-7-15-12(8-11)9-14(17(20)22-15)16(19)21-13-4-2-1-3-5-13/h1-9H,10H2 VLAVQNSKKDLVGI-UHFFFAOYSA-N 23563 3-Carboxylate-coumarin deriv., 3::CHEMBL13357::phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate Coagulation factor XII >50000 7.9 22.00 C Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23563&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 402499 50091824 CHEMBL13357 ZINC01660776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42697 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cc(C)cc(C)c1 InChI=1S/C19H17NO3/c1-11-4-5-17-14(7-11)10-16(19(22)23-17)18(21)20-15-8-12(2)6-13(3)9-15/h4-10H,1-3H3,(H,20,21) LQLUAXVECOARTB-UHFFFAOYSA-N 23564 3-Carboxamide-coumarin deriv., 34::N-(3,5-dimethylphenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 9800 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23564&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860448 50091825 ZINC40955680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42699 Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 InChI=1S/C17H11Cl2NO3/c1-9-3-2-4-12(5-9)20-16(21)13-7-10-6-11(18)8-14(19)15(10)23-17(13)22/h2-8H,1H3,(H,20,21) SONVRVRNPLMRNE-UHFFFAOYSA-N 23565 3-Carboxamide-coumarin deriv., 42::6,8-dichloro-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 25000 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23565&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3753834 50091826 ZINC00192848 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42700 Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 InChI=1S/C18H13Cl2NO3/c1-9-3-10(2)5-13(4-9)21-17(22)14-7-11-6-12(19)8-15(20)16(11)24-18(14)23/h3-8H,1-2H3,(H,21,22) OGDFRBNWXDWIQT-UHFFFAOYSA-N 23566 3-Carboxamide-coumarin deriv., 43::6,8-dichloro-N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 4300 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23566&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860449 50091827 ZINC26843164 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42702 Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1 InChI=1S/C17H11BrClNO3/c1-9-3-2-4-12(5-9)20-16(21)13-7-10-6-11(19)8-14(18)15(10)23-17(13)22/h2-8H,1H3,(H,20,21) AOZYTCBDNDDZPR-UHFFFAOYSA-N 23567 3-Carboxamide-coumarin deriv., 45::8-bromo-6-chloro-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 10000 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23567&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860450 50091828 ZINC40972363 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42703 Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1 InChI=1S/C18H13BrClNO3/c1-9-3-10(2)5-13(4-9)21-17(22)14-7-11-6-12(20)8-15(19)16(11)24-18(14)23/h3-8H,1-2H3,(H,21,22) NIYAHNDDVVFHBG-UHFFFAOYSA-N 23568 3-Carboxamide-coumarin deriv., 46::8-bromo-6-chloro-N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide Coagulation factor XII 32000 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23568&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860451 50091829 ZINC40972365 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 42704 NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)C(=O)CCl InChI=1S/C21H31ClN6O3/c22-13-18(29)15(8-4-11-26-21(23)24)27-20(31)17(12-14-6-2-1-3-7-14)28-19(30)16-9-5-10-25-16/h1-3,6-7,15-17,25H,4-5,8-13H2,(H,27,31)(H,28,30)(H4,23,24,26)/t15-,16+,17-/m0/s1 HCCRRLVJBLDSLL-BBWFWOEESA-N 23569 (2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-3-phenyl-2-[(2R)-pyrrolidin-2-ylformamido]propanamide::D-Pro-Phe-Arg chloromethyl ketone (PCK) Coagulation factor XII 180 Curated from the literature by BindingDB 10.1021/jm8002697 10.7270/Q2610XNH 18459730 aid1798332 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23569&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10456438 50091830 ZINC13507825 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41624 O=C1N(CN2CCOCC2)c2ccccc2C1=O InChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)15(13(12)17)9-14-5-7-18-8-6-14/h1-4H,5-9H2 ZRUIMDMDIRQCKV-UHFFFAOYSA-N 22841 1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 61 Coagulation factor XII 22500 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22841&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 262696 49846655 ZINC19300440 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41625 CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12 InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-11-14-17(18)19(22)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3 GQEQKTGRIPEAKW-UHFFFAOYSA-N 22842 1-dodecyl-2,3-dihydro-1H-indole-2,3-dione::CHEMBL222644::Isatin-based compound, 62 Coagulation factor XII 8 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22842&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1897797 49846656 CHEMBL222644 ZINC02272127 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41626 CCCCCCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12 InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3 JLUGWHXZCKLPBY-UHFFFAOYSA-N 22843 1-hexadecyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 63 Coagulation factor XII 11 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22843&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3772674 49846657 ZINC14979621 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41627 O=C1N(CCN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O InChI=1S/C18H12N2O4/c21-15-11-5-1-3-7-13(11)19(17(15)23)9-10-20-14-8-4-2-6-12(14)16(22)18(20)24/h1-8H,9-10H2 ZICIZFBOAQLOTF-UHFFFAOYSA-N 22844 1-[2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 64 Coagulation factor XII 1540 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22844&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3114312 49846658 ZINC03130265 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41628 O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O InChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2 OGTUYARYUMRJAT-UHFFFAOYSA-N 22845 1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]phenyl}methyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 65 Coagulation factor XII 10 Curated from the literature by BindingDB 10.1021/jm061471k 10.7270/Q2TX3CNK 17378546 aid1798240 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22845&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3821945 49846659 ZINC02028582 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41649 O=C(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H WURBFLDFSFBTLW-UHFFFAOYSA-N 22722 1,2-diphenylethane-1,2-dione::Benzil::CHEMBL189886::Diphenylethane-1,2-dione Coagulation factor XII 14.7 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8651 49846536 51507 CHEMBL189886 ZINC01672966 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41650 COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3 YNANGXWUZWWFKX-UHFFFAOYSA-N 22743 1,2-bis(4-methoxyphenyl)ethane-1,2-dione::Benzil-based compound, 21::JMC505727 Compound 2 Coagulation factor XII 70.2 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22743&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71043 49846557 ZINC01566855 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41651 COc1ccccc1C(=O)C(=O)c1ccccc1OC InChI=1S/C16H14O4/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3 PYDAJROJMZJKFS-UHFFFAOYSA-N 22846 1,2-Dione-Based Compound, 3::1,2-bis(2-methoxyphenyl)ethane-1,2-dione Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22846&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 222475 49846660 ZINC01586787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41652 CCOc1ccc(cc1)C(=O)C(=O)c1ccc(OCC)cc1 InChI=1S/C18H18O4/c1-3-21-15-9-5-13(6-10-15)17(19)18(20)14-7-11-16(12-8-14)22-4-2/h5-12H,3-4H2,1-2H3 MINRQLDDFIBLCI-UHFFFAOYSA-N 22847 1,2-Dione-Based Compound, 4::1,2-bis(4-ethoxyphenyl)ethane-1,2-dione Coagulation factor XII 1420 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4369935 49846661 ZINC03028806 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41653 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C14H8N2O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H YRKNWVLBLGRGRK-UHFFFAOYSA-N 22848 1,2-Dione-Based Compound, 5::1,2-bis(4-nitrophenyl)ethane-1,2-dione Coagulation factor XII 470 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22848&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1812008 49846662 ZINC02173334 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41654 Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1 InChI=1S/C20H22O2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3 WCDCASRNSNBIFI-UHFFFAOYSA-N 22849 1,2-Dione-Based Compound, 6::1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-dione Coagulation factor XII 4040 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1972026 49846663 ZINC02359836 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41655 O=C(C1CCCCC1)C(=O)C1CCCCC1 InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2 ZWDFMOMBVDVEHE-UHFFFAOYSA-N 22850 1,2-Dione-Based Compound, 7::1,2-dicyclohexylethane-1,2-dione Coagulation factor XII 5.0 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22850&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11806279 49846664 ZINC14979624 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41656 O=C1C=Cc2ccccc2C1=O InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H KETQAJRQOHHATG-UHFFFAOYSA-N 22851 1,2-Dione-Based Compound, 8::1,2-dihydronaphthalene-1,2-dione::1,2-naphthoquinone::CHEMBL52347::cid_10667 Coagulation factor XII 2400 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22851&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10667 49846665 CHEMBL52347 C14783 ZINC01700208 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41657 O=C1Cc2ccccc2C1=O InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2 WFFZGYRTVIPBFN-UHFFFAOYSA-N 22852 1,2-Dione-Based Compound, 9::2,3-dihydro-1H-indene-1,2-dione Coagulation factor XII 5470 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22852&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 123358 49846666 ZINC01691218 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41658 O=c1c2cccc3cccc(c23)c1=O InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H AFPRJLBZLPBTPZ-UHFFFAOYSA-N 22853 1,2-Dione-Based Compound, 10::1,2-dihydroacenaphthylenedione Coagulation factor XII 170 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22853&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search ANQ 1OAX 6724 49846667 15342 C02807 ZINC01529526 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41659 [O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O InChI=1S/C12H4N2O6/c15-11-5-1-3-7(13(17)18)10-8(14(19)20)4-2-6(9(5)10)12(11)16/h1-4H HKNXJYVCBQHLBT-UHFFFAOYSA-N 22854 1,2-Dione-Based Compound, 11::5,6-dinitro-1,2-dihydroacenaphthylenedione Coagulation factor XII 620 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22854&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3477013 49846668 ZINC03155930 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41660 O=C1N2CCCc3cccc(C1=O)c23 InChI=1S/C11H9NO2/c13-10-8-5-1-3-7-4-2-6-12(9(7)8)11(10)14/h1,3,5H,2,4,6H2 KNEFHXSZIJKTPK-UHFFFAOYSA-N 22855 1,2-Dione-Based Compound, 12::1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-2,3-dione Coagulation factor XII 4130 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22855&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2786143 49846669 ZINC03623081 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41661 O=C1N2CCCc3cccc(C(=O)C1=O)c23 InChI=1S/C12H9NO3/c14-10-8-5-1-3-7-4-2-6-13(9(7)8)12(16)11(10)15/h1,3,5H,2,4,6H2 LOGJHKARPDLIGK-UHFFFAOYSA-N 22856 1,2-Dione-Based Compound, 13::1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-2,3,4-trione Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22856&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2784639 49846670 ZINC03957297 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41662 O=C1C(=O)c2ccccc2-c2ccccc12 InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H YYVYAPXYZVYDHN-UHFFFAOYSA-N 22857 1,2-Dione-Based Compound, 14::9,10-dihydrophenanthrene-9,10-dione::CHEMBL51931::Phenanthrene-9,10 dione::cid_6763 Coagulation factor XII 52 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6763 49846671 37454 CHEMBL51931 C03243 ZINC01529614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41663 [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H KNAXWOBOCVVMST-UHFFFAOYSA-N 22858 1,2-Dione-Based Compound, 15::2-nitro-9,10-dihydrophenanthrene-9,10-dione::CHEMBL433282::NSC23180::US9073941, 904 Coagulation factor XII 107 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22858&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 94860 49846672 CHEMBL433282 ZINC01686937 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41664 O=c1c2cccc3cc4ccccc4c(c23)c1=O InChI=1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H YAIBDWAANBTYIA-UHFFFAOYSA-N 22859 1,2-Dione-Based Compound, 16::1,2-dihydroaceanthrylene-1,2-dione Coagulation factor XII 7.7 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22859&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 316765 49846673 ZINC01765793 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41665 O=C1C(=O)c2cccnc2-c2ncccc12 InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H KCALAFIVPCAXJI-UHFFFAOYSA-N 22860 1,2-Dione-Based Compound, 17::5,6-dihydro-1=10-phenantroline-5,6-dione::cid_72810 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22860&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72810 49846674 ZINC01580384 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41666 O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H FUEGWHHUYNHBNI-UHFFFAOYSA-N 22759 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione::Benzil-based compound, 37::JMC505727 Compound 18 Coagulation factor XII 5.6 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm0706867 10.7270/Q2Q52MWQ 17941623 aid1798260 Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM St. Jude Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22759&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137905 49846573 ZINC01590838 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41024 O=C(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H WURBFLDFSFBTLW-UHFFFAOYSA-N 22722 1,2-diphenylethane-1,2-dione::Benzil::CHEMBL189886::Diphenylethane-1,2-dione Coagulation factor XII 14.7 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8651 49846536 51507 CHEMBL189886 ZINC01672966 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41025 CC(=O)C(=O)c1ccccc1 InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 BVQVLAIMHVDZEL-UHFFFAOYSA-N 22724 1-Phenylpropane-1,2-dione Coagulation factor XII 1840 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22724&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11363 49846538 63552 C17268 ZINC01683675 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41026 CC(=O)C(C)=O InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 QSJXEFYPDANLFS-UHFFFAOYSA-N 22725 Butan-2,3-dione::butane-2,3-dione Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22725&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search BUO 5OJG 650 49846539 16583 C00741 ZINC01532732 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41027 O=C(c1ccccc1)c1ccccc1 InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H RWCCWEUUXYIKHB-UHFFFAOYSA-N 22726 Benzophenone::CHEMBL90039::diphenylmethanone Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22726&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search BZQ 1DZP,1GT5 3102 49846540 41308 CHEMBL90039 DB01878 C06354 ZINC00968233 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41028 O=C(CC(=O)c1ccccc1)c1ccccc1 InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 NZZIMKJIVMHWJC-UHFFFAOYSA-N 22727 1,3-Diphenylpropane-1,3-dione Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22727&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8433 49846541 75417 ZINC04530702 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41029 OC(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H ISAOCJYIOMOJEB-UHFFFAOYSA-N 22728 2-hydroxy-1,2-diphenylethan-1-one::Benzoin::CHEMBL190677 Coagulation factor XII 2220 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8400 49846542 17682 CHEMBL190677 C01408 ZINC00236100 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41030 OC(C(O)c1ccccc1)c1ccccc1 InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H IHPDTPWNFBQHEB-UHFFFAOYSA-N 22729 1,2-Diphenylethane-1,2-diol Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22729&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7F6 5TNE 95447 49846543 50013 ZINC12359951 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41031 Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1 InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H BRKULQOUSCHDGS-UHFFFAOYSA-N 22730 1,2-bis(4-fluorophenyl)ethane-1,2-dione::Benzil-based compound, 8::CHEMBL192410 Coagulation factor XII 167 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22730&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 123072 49846544 CHEMBL192410 ZINC02504724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41032 Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1 InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H XMAWUPHYEABFDR-UHFFFAOYSA-N 22731 1,2-bis(4-chlorophenyl)ethane-1,2-dione::Benzil-based compound, 9 Coagulation factor XII 106 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22731&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 18946 49846545 ZINC01555402 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41033 Clc1ccccc1C(=O)C(=O)c1ccccc1Cl InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H VOSNNSVWVJFJCR-UHFFFAOYSA-N 22732 1,2-bis(2-chlorophenyl)ethane-1,2-dione::Benzil-based compound, 10 Coagulation factor XII 353 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22732&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 89076 49846546 ZINC01704748 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41034 Brc1ccc(cc1)C(=O)C(=O)c1ccc(Br)cc1 InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H NYCBYBDDECLFPE-UHFFFAOYSA-N 22733 1,2-bis(4-bromophenyl)ethane-1,2-dione::Benzil-based compound, 11 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22733&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 96430 49846547 ZINC01699466 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41035 Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1 InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H ZDXXQKFXZDPNLI-UHFFFAOYSA-N 22734 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione::Benzil-based compound, 12::CHEMBL193229 Coagulation factor XII 23.4 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22734&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11437501 49846548 CHEMBL193229 ZINC13642865 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41036 Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1 InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H FMFHXBPXDZLEKC-UHFFFAOYSA-N 22735 1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione::Benzil-based compound, 13::CHEMBL193180 Coagulation factor XII 259 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22735&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11392969 49846549 CHEMBL193180 ZINC13642867 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41037 OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19) MWJHDSAAGSURCA-UHFFFAOYSA-N 22736 4-(2-oxo-2-phenylacetyl)benzoic acid::Benzil-based compound, 14 Coagulation factor XII 71.5 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22736&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2385968 49846550 ZINC03269660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41038 Clc1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H QDCKVAZDINMMHO-UHFFFAOYSA-N 22737 1-(4-chlorophenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 15 Coagulation factor XII 18.2 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22737&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 89801 49846551 ZINC02170331 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41039 Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1 InChI=1S/C15H11ClO2/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3 FKOYORNUXJRIQT-UHFFFAOYSA-N 22738 1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione::Benzil-based compound, 16 Coagulation factor XII 22.8 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22738&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2777298 49846552 ZINC02510245 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41040 Cc1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3 QKFICTUTRIMBEX-UHFFFAOYSA-N 22739 1-(4-methylphenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 17 Coagulation factor XII 33.3 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22739&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 75511 49846553 ZINC01841234 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41041 Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1 InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3 BCWCEHMHCDCJAD-UHFFFAOYSA-N 22740 1,2-bis(4-methylphenyl)ethane-1,2-dione::Benzil-based compound, 18 Coagulation factor XII 60.4 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22740&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76996 49846554 ZINC01590056 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41042 Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1 InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3 UJARQLWFLLIFBN-UHFFFAOYSA-N 22741 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 19 Coagulation factor XII 4.1 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22741&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2427416 49846555 ZINC03311689 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41043 COc1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3 NTINAJCDYRYMML-UHFFFAOYSA-N 22742 1-(4-methoxyphenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 20 Coagulation factor XII 10.3 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22742&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 31494 49846556 ZINC01671392 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41044 COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3 YNANGXWUZWWFKX-UHFFFAOYSA-N 22743 1,2-bis(4-methoxyphenyl)ethane-1,2-dione::Benzil-based compound, 21::JMC505727 Compound 2 Coagulation factor XII 70.2 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22743&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71043 49846557 ZINC01566855 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41045 COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1 InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3 PJGXOGKIVAJFTE-UHFFFAOYSA-N 22744 1,2-bis(3-methoxyphenyl)ethane-1,2-dione::Benzil-based compound, 22 Coagulation factor XII 139 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22744&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 123493 49846558 ZINC02168289 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41046 COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3 ULVSCSFZMZRZHJ-UHFFFAOYSA-N 22745 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione::Benzil-based compound, 23 Coagulation factor XII 8.9 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22745&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 92036 49846559 ZINC02384868 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41047 BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2 QELAVTMDKHSMOP-UHFFFAOYSA-N 22746 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione::Benzil-based compound, 24 Coagulation factor XII 21.3 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22746&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 87502 49846560 ZINC02559787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41048 [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O InChI=1S/C14H6Br2N2O6/c15-9-3-1-7(5-11(9)17(21)22)13(19)14(20)8-2-4-10(16)12(6-8)18(23)24/h1-6H UGAZCYYFCSPXSO-UHFFFAOYSA-N 22747 1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione::Benzil-based compound, 25 Coagulation factor XII >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22747&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5038499 49846561 ZINC03152345 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41049 Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1 InChI=1S/C15H11NO4/c1-10-7-8-12(9-13(10)16(19)20)15(18)14(17)11-5-3-2-4-6-11/h2-9H,1H3 JWRFKIOVIXSJAH-UHFFFAOYSA-N 22748 1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 26 Coagulation factor XII 7.9 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22748&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4384851 49846562 ZINC03132327 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41050 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1 InChI=1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H GPDKREBNFFEDHW-UHFFFAOYSA-N 22749 1-(4-nitrophenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 27 Coagulation factor XII 30.6 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22749&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 283893 49846563 ZINC02555760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41051 [O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O InChI=1S/C14H8N2O6/c17-13(9-4-2-1-3-5-9)14(18)11-7-6-10(15(19)20)8-12(11)16(21)22/h1-8H PEQXAMVWTHOPJH-UHFFFAOYSA-N 22750 1-(2,4-dinitrophenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 28 Coagulation factor XII 209 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22750&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5004413 49846564 ZINC02519749 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41052 [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O InChI=1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H SGKVXDKTNJHBCA-UHFFFAOYSA-N 22751 1,2-bis(3-nitrophenyl)ethane-1,2-dione::Benzil-based compound, 29 Coagulation factor XII 397 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22751&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 101375 49846565 ZINC01601014 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41053 Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1 InChI=1S/C14H10O4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,15-16H FMYXOBBPXQZKKY-UHFFFAOYSA-N 22752 1,2-bis(4-hydroxyphenyl)ethane-1,2-dione::Benzil-based compound, 30 Coagulation factor XII 1200 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22752&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 458204 49846566 ZINC02924369 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41054 Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H AAOYLOCWJSLLJU-UHFFFAOYSA-N 22753 1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione::Benzil-based compound, 31::cid_10662 Coagulation factor XII 72.7 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22753&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10662 49846567 ZINC01683334 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41055 Oc1ccc(C(=O)C(=O)c2ccc(O)cc2O)c(O)c1 InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H NGWYJYHAFLMHNW-UHFFFAOYSA-N 22754 1,2-bis(2,4-dihydroxyphenyl)ethane-1,2-dione::Benzil-based compound, 32 Coagulation factor XII 1730 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22754&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 219592 49846568 C15218 ZINC01587804 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41056 Oc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(O)c(c1)[N+]([O-])=O InChI=1S/C14H8N2O8/c17-11-3-1-7(5-9(11)15(21)22)13(19)14(20)8-2-4-12(18)10(6-8)16(23)24/h1-6,17-18H FGSBLNUFHHXQKM-UHFFFAOYSA-N 22755 1,2-bis(4-hydroxy-3-nitrophenyl)ethane-1,2-dione::Benzil-based compound, 33 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22755&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24825630 49846569 ZINC13642870 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41057 COc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(OC)c(c1)[N+]([O-])=O InChI=1S/C16H12N2O8/c1-25-13-5-3-9(7-11(13)17(21)22)15(19)16(20)10-4-6-14(26-2)12(8-10)18(23)24/h3-8H,1-2H3 QXCBKMMPXQYFNB-UHFFFAOYSA-N 22756 1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione::Benzil-based compound, 34 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22756&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3126152 49846570 ZINC04891505 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41058 CN(C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)N(C)C InChI=1S/C18H20N2O2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3 AVFUVYIDYFXFSX-UHFFFAOYSA-N 22757 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione::Benzil-based compound, 35 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22757&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 222570 49846571 ZINC01648377 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41059 Fc1c(F)c(F)c(C(=O)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F InChI=1S/C14Cl5F5O2/c15-3-1(4(16)6(18)7(19)5(3)17)13(25)14(26)2-8(20)10(22)12(24)11(23)9(2)21 LPUHARRFIWFXIH-UHFFFAOYSA-N 22758 1-(2,3,4,5,6-pentachlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-dione::Benzil-based compound, 36 Coagulation factor XII 380 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22758&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3527426 49846572 ZINC13642872 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41060 O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H FUEGWHHUYNHBNI-UHFFFAOYSA-N 22759 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione::Benzil-based compound, 37::JMC505727 Compound 18 Coagulation factor XII 5.6 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22759&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137905 49846573 ZINC01590838 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41061 COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1 InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3 LRRQSCPPOIUNGX-UHFFFAOYSA-N 22760 2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one::Benzil-related compound, 38 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22760&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 95415 49846574 ZINC00074100 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41062 CN(C)c1ccc(cc1)C(=O)C(O)c1ccccc1 InChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,15,18H,1-2H3 SOLBSNQBVLAREX-UHFFFAOYSA-N 22761 2-[4-(dimethylamino)phenyl]-2-hydroxy-1-phenylethan-1-one::Benzil-related compound, 39 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22761&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 95446 49846575 ZINC00242256 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41063 OC(=O)c1ccc(cc1)C(=O)c1ccccc1 InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17) IFQUPKAISSPFTE-UHFFFAOYSA-N 22762 4-benzoylbenzoic acid::Benzil-related compound, 40 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22762&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search QDB 8D39 69147 49846576 ZINC02504355 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41064 CC(=O)CCC(=O)c1ccccc1 InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 RBLXWIPBPPVLPU-UHFFFAOYSA-N 22763 1-phenylpentane-1,4-dione::Benzil-related compound, 41 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22763&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 136371 49846577 ZINC02575259 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41065 COC(OC)(C(=O)c1ccccc1)c1ccccc1 InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3 KWVGIHKZDCUPEU-UHFFFAOYSA-N 22764 2,2-dimethoxy-1,2-diphenylethan-1-one::Benzil-related compound, 42 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22764&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90571 49846578 ZINC00248775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41066 CCC(=O)C(C)=O InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 TZMFJUDUGYTVRY-UHFFFAOYSA-N 22765 Benzil-related compound, 43::pentane-2,3-dione Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22765&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11747 49846579 52774 ZINC01683666 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41067 CC(=O)CC(C)=O InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 YRKCREAYFQTBPV-UHFFFAOYSA-N 22766 Benzil-related compound, 44::pentane-2,4-dione Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22766&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search P2D 3WL7,4S1F 31261 49846580 48051 C15499 ZINC04720638 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41068 CC1CCC(=O)C1=O InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3 OACYKCIZDVVNJL-UHFFFAOYSA-N 22767 3-methylcyclopentane-1,2-dione::Benzil-related compound, 45 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22767&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 61209 49846581 ZINC01850928 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41069 CC1C(=O)CCC1=O InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3 HXZILEQYFQYQCE-UHFFFAOYSA-N 22768 2-methylcyclopentane-1,3-dione::Benzil-related compound, 46 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22768&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 13005 49846582 ZINC00331660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41070 CCCCC(=O)C(C)=O InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3 FJPGAMCQJNLTJC-UHFFFAOYSA-N 22769 Benzil-related compound, 47::heptane-2,3-dione Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22769&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 60983 49846583 ZINC01663926 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41071 O=C1CCCC(=O)C1 InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 HJSLFCCWAKVHIW-UHFFFAOYSA-N 22770 Benzil-related compound, 49::cyclohexane-1,3-dione Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22770&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10434 49846584 17766 C01066 ZINC03860300 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41072 CC1CCCC(=O)C1=O InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3 JDXJKLGWPNXSHL-UHFFFAOYSA-N 22771 3-methylcyclohexane-1,2-dione::Benzil-related compound, 50 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22771&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3321360 49846585 ZINC32299693 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41073 CC1C(=O)CCCC1=O InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3 VSGJHHIAMHUZKF-UHFFFAOYSA-N 22772 2-methylcyclohexane-1,3-dione::Benzil-related compound, 51 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22772&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 70V 5SWP 70945 49846586 ZINC03860603 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41074 CC1CC(C)(C)CC(=O)C1=O InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3 WEUZZYGESXCTCU-UHFFFAOYSA-N 22773 3,5,5-trimethylcyclohexane-1,2-dione::Benzil-related compound, 52 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22773&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 93772 49846587 ZINC24718305 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41075 O=C1C=CC(=O)C=C1 InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H AZQWKYJCGOJGHM-UHFFFAOYSA-N 22774 1,4-Benzoquinone::Benzil-related compound, 53::CHEMBL8320::benzoquinone::cid_4650::cyclohexa-2,5-diene-1,4-dione Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22774&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search PLQ 7NNX,3B6K,6C85,4YQE,6S82,6S3Z 4650 49846588 16509 CHEMBL8320 6307 C00472 ZINC00895247 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41076 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3 NOUZOVBGCDDMSX-UHFFFAOYSA-N 22775 3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione::Benzil-related compound, 54::cid_76915 Coagulation factor XII 1350 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22775&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76915 49846589 ZINC01734421 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41077 ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9 VRGCYEIGVVTZCC-UHFFFAOYSA-N 22776 3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione::Benzil-related compound, 55 Coagulation factor XII 875 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22776&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 73252 49846590 ZINC01595936 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41078 ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 UGNWTBMOAKPKBL-UHFFFAOYSA-N 22782 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione::Benzil-related compound, 56::Benzil-related compound, 57::acs.jmedchem.1c00409_ST.350 Coagulation factor XII 57.4 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22782&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8371 49846596 36703 C18933 ZINC00240941 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41079 CC1NC(=O)C(=O)OC1C InChI=1S/C6H9NO3/c1-3-4(2)10-6(9)5(8)7-3/h3-4H,1-2H3,(H,7,8) RVXHYESVPAJQTO-UHFFFAOYSA-N 22777 5,6-dimethylmorpholine-2,3-dione::Benzil-related compound, 57 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22777&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3469206 49846591 ZINC02167987 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41080 Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14) AVBSIKMUAFYZAV-UHFFFAOYSA-N 22778 6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione::6,7-dichloro-1,2,3,4-tetrahydroquinoxaline-2,3-dione::Benzil-related compound, 58::CHEMBL284028 Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22778&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1845 49846592 CHEMBL284028 ZINC18187630 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41081 O=S(=O)(Cc1ccccc1)Cc1ccccc1 InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 AWHNUHMUCGRKRA-UHFFFAOYSA-N 22779 Benzil-related compound, 59::[(phenylmethane)sulfonylmethyl]benzene Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22779&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 69282 49846593 ZINC00389634 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41082 O=S(=O)(Cc1ccccc1)c1ccccc1 InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 FABCMLOTUSCWOR-UHFFFAOYSA-N 22780 Benzil-related compound, 60::[(benzenesulfonyl)methyl]benzene Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22780&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76561 49846594 ZINC00163130 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 41083 O=S(Cc1ccccc1)Cc1ccccc1 InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 HTMQZWFSTJVJEQ-UHFFFAOYSA-N 22781 Benzil-related compound, 61::CHEMBL190496::[(phenylmethane)sulfinylmethyl]benzene Coagulation factor XII >100000 Curated from the literature by BindingDB 10.1021/jm049011j 10.7270/Q2ZP44DR 15828829 aid1798224 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM University of Mississippi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22781&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 12116 49846595 CHEMBL190496 ZINC00013562 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 44779 Nc1c2CCCCc2nc2ccccc12 InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) YLJREFDVOIBQDA-UHFFFAOYSA-N 8961 1,2,3,4-tetrahydro-9-acridinamine::1,2,3,4-tetrahydroacridin-9-amine::9-THA::9-amino-1,2,3,4-tetrahydroacridine (THA)::CHEMBL1337960::CHEMBL95::Cognex::Tacrine::Tracine::US8999994, Tacrine::cid_1935::tacrine.HCl Coagulation factor XII >100000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/s1074-5521(03)00071-1 10.7270/Q2N014T9 12725862 aid1798464 Bencharit, S; Morton, CL; Hyatt, JL; Kuhn, P; Danks, MK; Potter, PM; Redinbo, MR University of North Carolina at Chapel Hill http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8961&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search THA 2AOX,2AOW,4BDS,1MX1,1ACJ,7XN1 1935 46509736 45980 CHEMBL1337960CHEMBL95 DB00382 6687 C01453 ZINC00016827 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 44780 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18) CIKWKGFPFXJVGW-UHFFFAOYSA-N 24709 6,9-Diamino-2-Ethoxyacridine::7-ethoxyacridine-3,9-diamine::CHEMBL94007 Coagulation factor XII >100000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/s1074-5521(03)00071-1 10.7270/Q2N014T9 12725862 aid1798464 Bencharit, S; Morton, CL; Hyatt, JL; Kuhn, P; Danks, MK; Potter, PM; Redinbo, MR University of North Carolina at Chapel Hill http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24709&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2017 56269660 CHEMBL94007 C12677 ZINC03871389 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 44781 COc1ccc2nc3cc(Cl)ccc3c(N)c2c1 InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17) IHHSSHCBRVYGJX-UHFFFAOYSA-N 24710 6-chloro-2-methoxyacridin-9-amine::9-Amino-6-Chloro-2-Methoxyacridine Coagulation factor XII >100000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/s1074-5521(03)00071-1 10.7270/Q2N014T9 12725862 aid1798464 Bencharit, S; Morton, CL; Hyatt, JL; Kuhn, P; Danks, MK; Potter, PM; Redinbo, MR University of North Carolina at Chapel Hill http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24710&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 19080 56269661 ZINC04429033 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59854 O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1 InChI=1S/C17H17N5O/c23-17(19-12-15-8-4-5-10-18-15)16-13-22(21-20-16)11-9-14-6-2-1-3-7-14/h1-8,10,13H,9,11-12H2,(H,19,23) LEALFBGHVXXBON-UHFFFAOYSA-N 33422 1-(2-phenylethyl)-N-(2-pyridinylmethyl)-4-triazolecarboxamide::1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide::1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide::1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide::1-phenethyl-N-(2-pyridylmethyl)triazole-4-carboxamide::MLS000034520::SMR000000643::cid_644529 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33422&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644529 252616330 ZINC04929149 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59855 O=C(C1CCC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 InChI=1S/C22H23N3O2/c26-21-18-11-4-5-12-19(18)23-20(24-21)15-25(22(27)17-9-6-10-17)14-13-16-7-2-1-3-8-16/h1-5,7-8,11-12,17H,6,9-10,13-15H2,(H,23,24,26) JYIYTXKQMWWSHX-UHFFFAOYSA-N 33423 Cyclobutanecarboxylic acid (4-oxo-3,4-dihydro-quinazolin-2-ylmethyl)-phenethyl-amide::MLS000027171::N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-phenethyl-cyclobutanecarboxamide::N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)cyclobutanecarboxamide::N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)cyclobutanecarboxamide::SMR000005583::cid_646331 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33423&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 646331 252616331 ZINC08716746 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59856 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2OCOc2c1 InChI=1S/C18H17FN2O3/c19-14-2-4-15(5-3-14)20-7-9-21(10-8-20)18(22)13-1-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2 MCOSLRRJMQQCLE-UHFFFAOYSA-N 33424 1,3-benzodioxol-5-yl-[4-(4-fluorophenyl)-1-piperazinyl]methanone::1,3-benzodioxol-5-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone::1,3-benzodioxol-5-yl-[4-(4-fluorophenyl)piperazino]methanone::Benzo[1,3]dioxol-5-yl-[4-(4-fluoro-phenyl)-piperazin-1-yl]-methanone::MLS000029496::SMR000010075::cid_647876 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33424&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 647876 252616332 ZINC00103725 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59857 O=C(N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1)c1ccccc1 InChI=1S/C23H22N6O2/c30-22-19-21(29(27-26-19)14-16-8-3-1-4-9-16)24-20(25-22)18-12-7-13-28(15-18)23(31)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,24,25,30) LPIUNLQZZIKWNV-UHFFFAOYSA-N 33425 5-(1-benzoyl-3-piperidinyl)-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one::5-(1-benzoyl-3-piperidyl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one::5-(1-benzoylpiperidin-3-yl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one::5-[1-(phenylcarbonyl)piperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one::MLS000069005::SMR000007422::[3-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-piperidin-1-yl]-phenyl-methanone::cid_648416 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33425&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 648416 252616333 ZINC13116574 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59858 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3 RBMBACCNCLXNAF-UHFFFAOYSA-N 32665 2-furancarboxylic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::CHEMBL387812::Furan-2-carboxylic acid 5-amino-1-(toluene-4-sulfonyl)-1H-pyrazol-3-yl ester::MLS000033865::SMR000014913::US11584714, Compound 39#::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_651936::furan-2-carboxylic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Coagulation factor XII 16058.26667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32665&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651936 252615803 CHEMBL387812 ZINC00812571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59859 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(C)cc1 InChI=1S/C18H18N4O3/c1-11-4-6-12(7-5-11)16-20-18(19)22(21-16)17(23)13-8-9-14(24-2)15(10-13)25-3/h4-10H,1-3H3,(H2,19,20,21) FFDMJRPXWNAPBP-UHFFFAOYSA-N 33426 (5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone::MLS000076095::SMR000013731::[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_654458 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 654458 252616334 ZINC00800885 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59860 CC1(C)N(C(=O)c2ccco2)c2ccccc2-c2c1ssc2=S InChI=1S/C17H13NO2S3/c1-17(2)14-13(16(21)23-22-14)10-6-3-4-7-11(10)18(17)15(19)12-8-5-9-20-12/h3-9H,1-2H3 WDRUXMWBQABAFO-UHFFFAOYSA-N 33427 (4,4-Dimethyl-1-thioxo-1,4-dihydro-[1,2]dithiolo[3,4-c]quinolin-5-yl)-furan-2-yl-methanone::(4,4-dimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-(2-furanyl)methanone::(4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone::(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone::(4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-(2-furyl)methanone::MLS000029562::SMR000001105::cid_565200 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33427&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 565200 252616335 ZINC04793822 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59861 CC(C)C(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1 InChI=1S/C18H21N3O2/c1-12(2)18(23)21-16-9-13(3)15(11-19-16)20-17(22)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,22)(H,19,21,23) QWBLWMVHIOYAJB-UHFFFAOYSA-N 33428 2-methyl-N-[4-methyl-5-(2-phenylethanoylamino)pyridin-2-yl]propanamide::2-methyl-N-[4-methyl-5-[(1-oxo-2-phenylethyl)amino]-2-pyridinyl]propanamide::2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridyl]propionamide::2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]pyridin-2-yl]propanamide::MLS000075695::N-(4-Methyl-5-phenylacetylamino-pyridin-2-yl)-isobutyramide::SMR000005519::cid_656326 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33428&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 656326 252616336 ZINC01358398 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59862 O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1 InChI=1S/C19H12N2O5/c22-18(13-8-10-23-12-13)26-19-15(11-20-14-5-2-1-3-6-14)21-17(25-19)16-7-4-9-24-16/h1-12H/b20-11+ YEUSDDRDTZYOCG-RGVLZGJSSA-N 32667 3-furancarboxylic acid [2-(2-furanyl)-4-(phenyliminomethyl)-5-oxazolyl] ester::MLS000027589::SMR000040036::[2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-3-carboxylate::cid_659095::furan-3-carboxylic acid [2-(2-furyl)-4-(phenyliminomethyl)oxazol-5-yl] ester Coagulation factor XII 10891.90667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32667&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 659095 252615805 ZINC13116036 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59863 Clc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccco3)nc2N1 InChI=1S/C22H17Cl2N5O2/c23-15-7-3-13(4-8-15)17-12-18(14-5-9-16(24)10-6-14)29-22(25-17)27-21(28-29)26-20(30)19-2-1-11-31-19/h1-11,17-18H,12H2,(H2,25,26,27,28,30) IYQCXUQBJZSNKQ-UHFFFAOYSA-N 33429 MLS000082068::N-[5,7-bis(4-chlorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furamide::N-[5,7-bis(4-chlorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide::N-[5,7-bis(4-chlorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide::SMR000045014::cid_5389792 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33429&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5389792 252616337 ZINC13127347 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59864 FC(F)(F)c1cnc(Oc2ccc(cc2)-c2nnco2)c(Cl)c1 InChI=1S/C14H7ClF3N3O2/c15-11-5-9(14(16,17)18)6-19-13(11)23-10-3-1-8(2-4-10)12-21-20-7-22-12/h1-7H MGCLHINABSYDRQ-UHFFFAOYSA-N 33430 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1,3,4-oxadiazole::2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1,3,4-oxadiazole::2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole::2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-1,3,4-oxadiazole::MLS000058573::SMR000068366::cid_2550764 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33430&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2550764 252616338 ZINC03431230 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59865 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1 InChI=1S/C17H15ClN4O3/c1-24-13-8-5-11(9-14(13)25-2)16(23)22-17(19)20-15(21-22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H2,19,20,21) HGMMYFQNXSPVTA-UHFFFAOYSA-N 33431 3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000048966::SMR000074176::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_1084415 Coagulation factor XII 4703.493333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33431&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1084415 252616339 ZINC00800883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59866 COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1 InChI=1S/C16H15N3O4S/c1-21-11-7-6-10(9-13(11)22-2)15(20)19-16(24-3)17-14(18-19)12-5-4-8-23-12/h4-9H,1-3H3 UJHCYBGLPMMJDH-UHFFFAOYSA-N 32669 (3,4-dimethoxyphenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(3,4-dimethoxyphenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(3,4-dimethoxyphenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone::1-(3,4-dimethoxybenzoyl)-3-(2-furyl)-5-(methylthio)-1H-1,2,4-triazole::MLS000049344::SMR000075230::cid_976363 Coagulation factor XII 769.103333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32669&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 976363 252615807 ZINC00618525 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59867 Cc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1 InChI=1S/C17H16N4O/c1-12-7-9-14(10-8-12)16-19-17(18)21(20-16)15(22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,20) RLMDHZHCYICOEW-UHFFFAOYSA-N 33432 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::1-[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::3-(4-methylphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000049087::SMR000074381::cid_974955 Coagulation factor XII 6256.446667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 974955 252616340 ZINC00616167 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59868 Cc1onc(c1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C17H12N4O2/c1-11-15(16(19-23-11)12-7-3-2-4-8-12)17(22)21-14-10-6-5-9-13(14)18-20-21/h2-10H,1H3 XWEWIQCAIBLPHV-UHFFFAOYSA-N 33433 1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1H-1,2,3-benzotriazole::1-benzotriazolyl-(5-methyl-3-phenyl-4-isoxazolyl)methanone::MLS000099557::SMR000071313::benzotriazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone::benzotriazol-1-yl-(5-methyl-3-phenyl-isoxazol-4-yl)methanone::cid_1121978 Coagulation factor XII 3973.366667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33433&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1121978 252616341 ZINC00859741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59869 Cc1occc1C(=O)n1nnc2ccccc12 InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3 DTUKMQFBFZXVKB-UHFFFAOYSA-N 33434 1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(2-methyl-3-furanyl)methanone::MLS000066844::SMR000072033::benzotriazol-1-yl-(2-methyl-3-furyl)methanone::benzotriazol-1-yl-(2-methylfuran-3-yl)methanone::cid_898637 Coagulation factor XII 8961.41 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 898637 252616342 ZINC00476593 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59870 COc1ccccc1C(=O)n1nc(nc1N)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c1-23-13-5-3-2-4-12(13)15(22)21-16(18)19-14(20-21)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20) DBMRKGDJNJUXND-UHFFFAOYSA-N 33435 3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000096819::SMR000074510::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_975143 Coagulation factor XII 5407.236667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 975143 252616343 ZINC00616538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59871 CSc1nc(nn1C(=O)c1cccs1)-c1ccco1 InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3 WAZLNMJDGBJWQY-UHFFFAOYSA-N 32671 3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1H-1,2,4-triazole::MLS000063602::SMR000075208::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-thienyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::cid_976329 Coagulation factor XII 11614.71667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32671&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 976329 252615809 ZINC00618475 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59872 COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O3/c1-20-10-6-3-2-5-9(10)13(19)18-14(15)16-12(17-18)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,17) BGOHEHPDIIPCBT-UHFFFAOYSA-N 33436 3-(2-furyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000099528::SMR000074220::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_969710 Coagulation factor XII 2481.16 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33436&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969710 252616344 ZINC00608724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59873 CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22) VUWARVVMIAAMOY-UHFFFAOYSA-N 32672 MLS000097371::N-[4-(1H-1,2,3-benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butyramide::N-[4-[1-benzotriazolyl(oxo)methyl]phenyl]butanamide::SMR000076008::cid_2201551 Coagulation factor XII 7103.7 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32672&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2201551 252615810 ZINC02847121 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59874 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1 InChI=1S/C17H16N4O3/c1-23-13-9-8-12(10-14(13)24-2)16(22)21-17(18)19-15(20-21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20) KJFHJZMOFADPOP-UHFFFAOYSA-N 33437 (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone::(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone::1-(3,4-dimethoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine::MLS000099650::SMR000074479::cid_975107 Coagulation factor XII 2596.626667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33437&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 975107 252616345 ZINC00616457 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59875 CCCC(=O)n1nc(nc1N)-c1ccc(OC)cc1 InChI=1S/C13H16N4O2/c1-3-4-11(18)17-13(14)15-12(16-17)9-5-7-10(19-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16) UQEBKUFDCAZKBC-UHFFFAOYSA-N 33438 1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-butanone::1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]butan-1-one::1-[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]butan-1-one::1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine::MLS000099450::SMR000074044::cid_753275 Coagulation factor XII 24502.97633 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33438&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753275 252616346 ZINC00205341 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59876 O=C(c1cn(nc1-c1ccncc1)-c1ccccc1)n1nnc2ccccc12 InChI=1S/C21H14N6O/c28-21(27-19-9-5-4-8-18(19)23-25-27)17-14-26(16-6-2-1-3-7-16)24-20(17)15-10-12-22-13-11-15/h1-14H XKJPYUYSROHYIL-UHFFFAOYSA-N 32674 1-benzotriazolyl-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methanone::1-{[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000049336::SMR000075218::benzotriazol-1-yl-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methanone::benzotriazol-1-yl-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methanone::benzotriazol-1-yl-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methanone::cid_1307930 Coagulation factor XII 973.456667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32674&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1307930 252615812 ZINC01133288 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59877 Nc1nc(nn1C(=O)Cc1ccccc1)-c1cccnc1 InChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19) UQFXNLGTCOBRMQ-UHFFFAOYSA-N 33439 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::MLS000050055::SMR000077068::cid_971620 Coagulation factor XII 1524.03 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971620 252616347 ZINC00611509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59878 COc1ccc(cc1Br)C(=O)n1nnc2ccccc12 InChI=1S/C14H10BrN3O2/c1-20-13-7-6-9(8-10(13)15)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3 XLPOTRXTNFLNRD-UHFFFAOYSA-N 32675 1-(3-bromo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(3-bromo-4-methoxyphenyl)methanone::MLS000048314::SMR000073685::benzotriazol-1-yl-(3-bromanyl-4-methoxy-phenyl)methanone::benzotriazol-1-yl-(3-bromo-4-methoxy-phenyl)methanone::benzotriazol-1-yl-(3-bromo-4-methoxyphenyl)methanone::cid_833492 Coagulation factor XII 10687.73333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32675&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 833492 252615813 ZINC00358984 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59879 Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccc1 InChI=1S/C16H14N4O/c17-16-18-15(13-9-5-2-6-10-13)19-20(16)14(21)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19) OWRFGLQQIWZWDX-UHFFFAOYSA-N 33440 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone::1-(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::3-phenyl-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000099520::SMR000074206::cid_969682 Coagulation factor XII 3206.893333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33440&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969682 252616348 ZINC00608680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59880 Cc1cc(C)cc(c1)C(=O)n1cnnc1N InChI=1S/C11H12N4O/c1-7-3-8(2)5-9(4-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) DCEIJDRLZJWLKF-UHFFFAOYSA-N 32676 (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063609::SMR000075231::cid_912604 Coagulation factor XII 1401.053333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32676&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 912604 252615814 ZINC00496741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59881 Nc1nc(nn1C(=O)c1ccco1)-c1cccnc1 InChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16) LCKQEPFCQQJQSU-UHFFFAOYSA-N 33441 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::1-(2-furoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000064561::SMR000077158::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-furanyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone::cid_971909 Coagulation factor XII 14540.24 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971909 252616349 ZINC00611874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59882 CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1 InChI=1S/C13H9BrO4/c1-8(15)9-2-4-10(5-3-9)17-13(16)11-6-7-12(14)18-11/h2-7H,1H3 ZVVXNPHGMGHCQU-UHFFFAOYSA-N 33442 (4-acetylphenyl) 5-bromofuran-2-carboxylate::(4-ethanoylphenyl) 5-bromanylfuran-2-carboxylate::5-bromo-2-furancarboxylic acid (4-acetylphenyl) ester::5-bromofuran-2-carboxylic acid (4-acetylphenyl) ester::MLS000105128::SMR000055057::cid_786607 Coagulation factor XII 18527.74333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33442&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 786607 252616350 ZINC00284156 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59883 CCOC(=O)N1CCN(C\C(C)=C\c2ccccc2)CC1 InChI=1S/C17H24N2O2/c1-3-21-17(20)19-11-9-18(10-12-19)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+ VBKXUROPLKYGPJ-FYWRMAATSA-N 33443 4-[(E)-2-methyl-3-phenyl-allyl]piperazine-1-carboxylic acid ethyl ester::4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester::MLS000106519::SMR000103486::cid_782678::ethyl 4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazine-1-carboxylate::ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33443&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 782678 252616351 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59884 Cc1ccc(cc1S(=O)(=O)NCCO)-c1n[nH]c(=O)c2ccccc12 InChI=1S/C17H17N3O4S/c1-11-6-7-12(10-15(11)25(23,24)18-8-9-21)16-13-4-2-3-5-14(13)17(22)20-19-16/h2-7,10,18,21H,8-9H2,1H3,(H,20,22) GWFBHDILRDPPML-UHFFFAOYSA-N 33444 MLS000122922::N-(2-Hydroxy-ethyl)-2-methyl-5-(4-oxo-3,4-dihydro-phthalazin-1-yl)-benzenesulfonamide::N-(2-hydroxyethyl)-2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzenesulfonamide::N-(2-hydroxyethyl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide::N-(2-hydroxyethyl)-5-(4-keto-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide::SMR000123531::cid_1634592 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33444&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1634592 252616352 ZINC18286426 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59885 COc1cc(OC)cc(c1)C(=O)n1nc(C)cc1C InChI=1S/C14H16N2O3/c1-9-5-10(2)16(15-9)14(17)11-6-12(18-3)8-13(7-11)19-4/h5-8H,1-4H3 WZKXIRZYCVLIHB-UHFFFAOYSA-N 33445 (3,5-Dimethoxy-phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methanone::(3,5-dimethoxyphenyl)-(3,5-dimethyl-1-pyrazolyl)methanone::(3,5-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone::MLS000526208::SMR000116682::cid_754128 Coagulation factor XII 7888.5 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33445&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 754128 252616353 ZINC00207426 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59886 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1 InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2 VQEIJJHEAFTVHY-UHFFFAOYSA-N 33446 3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione::3-chloranyl-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione::3-chloro-4-(4-morpholinyl)-1-phenylpyrrole-2,5-dione::3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione::3-chloro-4-morpholino-1-phenyl-3-pyrroline-2,5-quinone::MLS000526457::SMR000116931::cid_720237 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33446&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 720237 252616354 ZINC00121560 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59887 O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1 InChI=1S/C17H12O5/c18-16-13-4-1-3-11(13)12-7-6-10(9-15(12)22-16)21-17(19)14-5-2-8-20-14/h2,5-9H,1,3-4H2 XPHAPQDWSYYERN-UHFFFAOYSA-N 33447 (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::2-furancarboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester::Furan-2-carboxylic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester::MLS000526449::SMR000116923::cid_718321::furan-2-carboxylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Coagulation factor XII 6221.753333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33447&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 718321 252616355 ZINC00117671 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59888 O=C(Oc1cccc(c1)-n1cnnn1)c1ccco1 InChI=1S/C12H8N4O3/c17-12(11-5-2-6-18-11)19-10-4-1-3-9(7-10)16-8-13-14-15-16/h1-8H UPEYSALMABSIQR-UHFFFAOYSA-N 32695 2-furancarboxylic acid [3-(1-tetrazolyl)phenyl] ester::Furan-2-carboxylic acid 3-tetrazol-1-yl-phenyl ester::MLS000527366::SMR000117840::[3-(1,2,3,4-tetrazol-1-yl)phenyl] furan-2-carboxylate::[3-(tetrazol-1-yl)phenyl] furan-2-carboxylate::cid_856198::furan-2-carboxylic acid [3-(tetrazol-1-yl)phenyl] ester Coagulation factor XII 12370.60667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32695&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 856198 252615832 ZINC00411620 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59889 Cc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C14H11N3O/c1-10-6-8-11(9-7-10)14(18)17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3 YOYAUIFNAMODDP-UHFFFAOYSA-N 32696 1-benzotriazolyl-(4-methylphenyl)methanone::Benzotriazol-1-yl-p-tolyl-methanone::MLS000527467::SMR000117941::benzotriazol-1-yl(p-tolyl)methanone::benzotriazol-1-yl-(4-methylphenyl)methanone::cid_827004 Coagulation factor XII 2288.833333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32696&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 827004 252615833 ZINC00347286 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59890 CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3 WHPLFFUAOTXPOV-UHFFFAOYSA-N 32697 (3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527913::SMR000120487::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_1088427 Coagulation factor XII 2069.096667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1088427 252615834 ZINC00807054 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59891 Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16) IGCDDPNPYAFVCA-UHFFFAOYSA-N 33448 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527906::SMR000120480::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-phenyl-methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenyl-methanone::cid_828588 Coagulation factor XII 643.476667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33448&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828588 252616356 ZINC00350102 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59892 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O2/c1-9-4-6-10(7-5-9)13(19)18-14(15)16-12(17-18)11-3-2-8-20-11/h2-8H,1H3,(H2,15,16,17) PGDFFQTZZYUSBF-UHFFFAOYSA-N 33449 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl-methanone::MLS000527907::SMR000120481::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_828590 Coagulation factor XII 2086.316667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828590 252616357 ZINC00350104 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59893 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C13H9ClN4O2/c14-9-5-3-8(4-6-9)12(19)18-13(15)16-11(17-18)10-2-1-7-20-10/h1-7H,(H2,15,16,17) PMYRDJAEGIUHCC-UHFFFAOYSA-N 33450 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-chloro-phenyl)-methanone::MLS000527908::SMR000120482::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_828591 Coagulation factor XII 8587.873333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33450&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828591 252616358 ZINC00350105 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59894 Clc1ccc(OC(=O)c2ccco2)c2ncccc12 InChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H ANWBJZCIAVOROI-UHFFFAOYSA-N 33451 (5-chloranylquinolin-8-yl) furan-2-carboxylate::(5-chloroquinolin-8-yl) furan-2-carboxylate::2-furancarboxylic acid (5-chloro-8-quinolinyl) ester::Furan-2-carboxylic acid 5-chloro-quinolin-8-yl ester::MLS000528333::SMR000120908::cid_699693::furan-2-carboxylic acid (5-chloro-8-quinolyl) ester Coagulation factor XII 21575.89 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33451&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 699693 252616359 ZINC00078754 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59895 Cc1ccccc1CNCc1cccnc1 InChI=1S/C14H16N2/c1-12-5-2-3-7-14(12)11-16-10-13-6-4-8-15-9-13/h2-9,16H,10-11H2,1H3 OIUSANOAUHEIFK-UHFFFAOYSA-N 33452 (2-Methyl-benzyl)-pyridin-3-ylmethyl-amine::(2-methylbenzyl)-(3-pyridylmethyl)amine::MLS000528255::N-[(2-methylphenyl)methyl]-1-(3-pyridinyl)methanamine::N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-methanamine::N-[(2-methylphenyl)methyl]-1-pyridin-3-ylmethanamine::SMR000120830::cid_846157 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33452&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 846157 252616360 ZINC00378545 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59896 COc1ccc(cc1)C(=O)n1cnnc1N InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13) GEWIUKZEFCKWDD-UHFFFAOYSA-N 33453 (3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::MLS000528783::SMR000121258::cid_2938648 Coagulation factor XII 7588.073333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33453&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2938648 252616361 ZINC04570721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59897 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17) VLVDOLXNKMIANU-UHFFFAOYSA-N 33454 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-methoxy-phenyl)-methanone::MLS000528979::SMR000121454::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::cid_1084416 Coagulation factor XII 2848.053333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33454&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1084416 252616362 ZINC00800884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59898 O=C(c1ccccc1)n1nnc2ccccc12 InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H UJEMOXPSTTXLRE-UHFFFAOYSA-N 32701 1-benzotriazolyl(phenyl)methanone::Benzotriazol-1-yl-phenyl-methanone::MLS000529214::SMR000121689::benzotriazol-1-yl(phenyl)methanone::cid_570059 Coagulation factor XII 2014.353333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32701&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 570059 252615838 ZINC00101721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59899 COc1ccc(C=c2sc3=NC4(N(C)C(=O)N(C)C4(Nn3c2=O)c2ccccc2)c2ccccc2)cc1 InChI=1S/C28H25N5O3S/c1-31-26(35)32(2)28(21-12-8-5-9-13-21)27(31,20-10-6-4-7-11-20)29-25-33(30-28)24(34)23(37-25)18-19-14-16-22(36-3)17-15-19/h4-18,30H,1-3H3 MMGMNUOTXKHGRH-UHFFFAOYSA-N 33455 6-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydro-1H-imidaz o[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7-dione::MLS000554652::SMR000146769::cid_4518826 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33455&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4518826 242052873 ZINC12416609 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59900 CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 HXVZGASCDAGAPS-UHFFFAOYSA-N 33456 (4-methyl-2-oxidanylidene-chromen-7-yl) ethanoate::(4-methyl-2-oxochromen-7-yl) acetate::Acetic acid 4-methyl-2-oxo-2H-chromen-7-yl ester::MLS000554751::SMR000146868::acetic acid (2-keto-4-methyl-chromen-7-yl) ester::acetic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester::cid_366 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33456&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 366 252616363 17763 C03837 ZINC00057912 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59901 Cc1ccccc1C(=O)N=c1sccn1C InChI=1S/C12H12N2OS/c1-9-5-3-4-6-10(9)11(15)13-12-14(2)7-8-16-12/h3-8H,1-2H3 WBNLCFOVCGUFTD-UHFFFAOYSA-N 32705 2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide::2-methyl-N-(3-methyl-2-thiazolylidene)benzamide::2-methyl-N-(3-methyl-4-thiazolin-2-ylidene)benzamide::2-methyl-N-[3-methyl-1,3-thiazol-2(3H)-yliden]benzenecarboxamide::MLS000541577::SMR000126435::cid_3710007 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32705&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3710007 252615842 ZINC13143265 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59902 COc1cc(OC)c2c(N)c(C#N)c(nc2c1)C(F)(F)C(F)(F)F InChI=1S/C14H10F5N3O2/c1-23-6-3-8-10(9(4-6)24-2)11(21)7(5-20)12(22-8)13(15,16)14(17,18)19/h3-4H,1-2H3,(H2,21,22) VTLRJVJJWPDFOR-UHFFFAOYSA-N 32706 4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline-3-carbonitrile::4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile::4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile::4-azanyl-5,7-dimethoxy-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]quinoline-3-carbonitrile::MLS000555623::SMR000147340::cid_3697967 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32706&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3697967 252615843 ZINC04900866 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59903 Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1 InChI=1S/C16H12O5/c1-9-6-12-15(10(2)8-14(17)20-12)13(7-9)21-16(18)11-4-3-5-19-11/h3-8H,1-2H3 FLDPNZDDXLRGPI-UHFFFAOYSA-N 33457 (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) furan-2-carboxylate::(4,7-dimethyl-2-oxochromen-5-yl) furan-2-carboxylate::2-furancarboxylic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester::4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-furoate::MLS000539267::SMR000144904::cid_1249798::furan-2-carboxylic acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33457&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1249798 252616364 ZINC01059255 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59904 Clc1ccccc1-c1nc2ccsc2c(=O)o1 InChI=1S/C12H6ClNO2S/c13-8-4-2-1-3-7(8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H RVSYWOORIBXTII-UHFFFAOYSA-N 32813 2-(2-chlorophenyl)-4-thieno[3,2-d][1,3]oxazinone::2-(2-chlorophenyl)-4H-thieno[3,2-d][1,3]oxazin-4-one::2-(2-chlorophenyl)thieno[3,2-d][1,3]oxazin-4-one::MLS000541266::SMR000126124::cid_1485389 Coagulation factor XII 241.373333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32813&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1485389 252615949 ZINC01399287 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59905 CC(C)NC(=O)c1ccccc1-c1ccccc1 InChI=1S/C16H17NO/c1-12(2)17-16(18)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,17,18) DLBJFXIPEFDCND-UHFFFAOYSA-N 33458 2-phenyl-N-propan-2-yl-benzamide::2-phenyl-N-propan-2-ylbenzamide::MLS000594204::N-isopropyl-2-biphenylcarboxamide::N-isopropyl-2-phenyl-benzamide::SMR000143223::cid_976213 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33458&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 976213 252616365 ZINC00618305 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59906 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N InChI=1S/C22H21N5O2/c1-15-5-7-18-19(11-15)25-22(24-18)17(14-23)12-16-6-8-20(21(13-16)27(28)29)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,24,25) WLPODNUCECUFHZ-UHFFFAOYSA-N 33459 (Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3-nitro-4-piperidino-phenyl)acrylonitrile::(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile::2-(5-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(1-piperidinyl)phenyl]acrylonitrile::MLS000533042::SMR000140480::cid_5340140 Coagulation factor XII 1019.616667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33459&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5340140 252616366 ZINC51075690 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59907 COc1cc(OC)cc(c1)-c1nnc(SCc2cccc(c2)C(O)=O)o1 InChI=1S/C18H16N2O5S/c1-23-14-7-13(8-15(9-14)24-2)16-19-20-18(25-16)26-10-11-4-3-5-12(6-11)17(21)22/h3-9H,10H2,1-2H3,(H,21,22) DJVAQDHVRRGQLI-UHFFFAOYSA-N 32708 3-({[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzoic acid::3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid::3-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid::MLS000531176::SMR000136154::cid_1261055 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32708&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1261055 252615845 ZINC01073158 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59908 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19) BIEYFOHSWAIQDF-UHFFFAOYSA-N 32709 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000537840::SMR000144080::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::cid_970375 Coagulation factor XII 795.836667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32709&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970375 252615846 ZINC00609776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59909 Cc1ccc(cc1)C(=O)n1cnnc1N InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13) QXYXZOXEPMANBZ-UHFFFAOYSA-N 32713 (3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::(3-amino-1,2,4-triazol-4-yl)-(p-tolyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000537289::SMR000143706::cid_892616 Coagulation factor XII 9179.693333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32713&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 892616 252615850 ZINC00468643 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59910 Cc1ccc(NC(=O)C2(CC2)S(=O)(=O)c2ccc(C)cc2)cc1 InChI=1S/C18H19NO3S/c1-13-3-7-15(8-4-13)19-17(20)18(11-12-18)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20) NNJGMVKEYJFXRO-UHFFFAOYSA-N 33460 MLS000521347::N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-1-cyclopropanecarboxamide::N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-cyclopropane-1-carboxamide::N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide::N-(p-tolyl)-1-tosyl-cyclopropanecarboxamide::SMR000131755::cid_4110795 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33460&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4110795 252616367 ZINC00427152 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59911 Cc1ccc(CNC(=O)CS(=O)CC(O)=O)cc1 InChI=1S/C12H15NO4S/c1-9-2-4-10(5-3-9)6-13-11(14)7-18(17)8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16) CUWXNCKFXYYJLE-UHFFFAOYSA-N 33461 2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfinyl)acetic acid::2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfinylethanoic acid::2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfinylacetic acid::2-[2-keto-2-[(4-methylbenzyl)amino]ethyl]sulfinylacetic acid::MLS000594371::SMR000126551::cid_3809586 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33461&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3809586 252616368 ZINC05363061 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59912 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccc(Cl)cc1 InChI=1S/C22H36ClN3O3S/c1-17(2)15-26(16-18(3)4)30(28,29)25-13-10-20(11-14-25)22(27)24-12-9-19-5-7-21(23)8-6-19/h5-8,17-18,20H,9-16H2,1-4H3,(H,24,27) DXBZDZHNXFUJAH-UHFFFAOYSA-N 33462 1-[bis(2-methylpropyl)sulfamoyl]-N-[2-(4-chlorophenyl)ethyl]-4-piperidinecarboxamide::1-[bis(2-methylpropyl)sulfamoyl]-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide::MLS000522098::N-[2-(4-chlorophenyl)ethyl]-1-(diisobutylsulfamoyl)isonipecotamide::SMR000132506::cid_9550385 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33462&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9550385 252616369 ZINC08680515 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59913 CCc1ccc(cc1)C(=O)COC(=O)c1cccs1 InChI=1S/C15H14O3S/c1-2-11-5-7-12(8-6-11)13(16)10-18-15(17)14-4-3-9-19-14/h3-9H,2,10H2,1H3 FICMKUVLQYGBSU-UHFFFAOYSA-N 33463 2-(4-ethylphenyl)-2-oxoethyl 2-thiophenecarboxylate::2-thiophenecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester::MLS000534778::SMR000142234::[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate::[2-(4-ethylphenyl)-2-oxoethyl] thiophene-2-carboxylate::cid_902762::thiophene-2-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33463&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 902762 252616370 ZINC00482449 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59914 COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C23H17N5O2/c1-30-18-13-11-16(12-14-18)22-19(15-27(25-22)17-7-3-2-4-8-17)23(29)28-21-10-6-5-9-20(21)24-26-28/h2-15H,1H3 YKAFBQRMJLHRNK-UHFFFAOYSA-N 32815 1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone::1-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000534987::SMR000142423::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone::cid_1326637 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32815&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1326637 252615951 ZINC01157362 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59915 CC1=CC(C=C(C)C1=O)=NOC(=O)c1cccc(c1)[N+]([O-])=O InChI=1S/C15H12N2O5/c1-9-6-12(7-10(2)14(9)18)16-22-15(19)11-4-3-5-13(8-11)17(20)21/h3-8H,1-2H3 QZWBWWQHXCDALU-UHFFFAOYSA-N 33464 2,6-dimethylbenzo-1,4-quinone 4-[O-(3-nitrobenzoyl)oxime]::3-nitrobenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3-nitrobenzoic acid [(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000534027::SMR000141463::[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate::[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate::cid_885433 Coagulation factor XII 1943.443333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33464&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 885433 252616371 ZINC00457703 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59916 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1 InChI=1S/C17H16N4O2/c1-23-14-9-7-13(8-10-14)16-19-17(18)21(20-16)15(22)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20) MDIYVBOFPAESAX-UHFFFAOYSA-N 33465 1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::3-(4-methoxyphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000534947::SMR000142383::cid_753277 Coagulation factor XII 2049.753333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33465&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753277 252616372 ZINC00205343 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59917 CCCC(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C11H13N5O/c1-2-4-9(17)16-11(12)14-10(15-16)8-5-3-6-13-7-8/h3,5-7H,2,4H2,1H3,(H2,12,14,15) AKHBGHIMIKHILP-UHFFFAOYSA-N 33466 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one::1-butyryl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000537418::SMR000143856::cid_970872 Coagulation factor XII 17115.051 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970872 252616373 ZINC00610463 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59918 CCOc1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)ccc1OCCOc1ccccc1 InChI=1S/C24H23N3O5/c1-3-29-21-15-17(9-10-20(21)31-12-11-30-18-7-5-4-6-8-18)14-19-23(25)27-22(26-24(19)28)13-16(2)32-27/h4-10,13-15,25H,2-3,11-12H2,1H3,(H,26,28) WXVXOCWOURVFQN-UHFFFAOYSA-N 33467 (6Z)-6-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one::(6Z)-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-7-imino-2-methyl-5-isoxazolo[2,3-a]pyrimidinone::(6Z)-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one::(6Z)-7-azanylidene-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one::MLS000520298::SMR000130711::cid_9550972 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33467&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896187 252616374 ZINC13110858 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59919 CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-3-2-8-20-11)17-18(14)13(19)9-4-6-10(15)7-5-9/h2-8H,1H3 JBCIQOTXWVGRSP-UHFFFAOYSA-N 32722 (4-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone::MLS000522280::SMR000127548::cid_3586641 Coagulation factor XII 3957.196667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3586641 252615859 ZINC03647280 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59920 OC1(CSC2=C(C#N)C(CC(=O)N12)c1ccccc1F)c1ccccc1 InChI=1S/C20H15FN2O2S/c21-17-9-5-4-8-14(17)15-10-18(24)23-19(16(15)11-22)26-12-20(23,25)13-6-2-1-3-7-13/h1-9,15,25H,10,12H2 KIGZXZVQNMKEFQ-UHFFFAOYSA-N 33468 7-(2-fluorophenyl)-3-hydroxy-5-keto-3-phenyl-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile::7-(2-fluorophenyl)-3-hydroxy-5-oxo-3-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile::7-(2-fluorophenyl)-3-hydroxy-5-oxo-3-phenyl-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile::7-(2-fluorophenyl)-3-oxidanyl-5-oxidanylidene-3-phenyl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile::MLS000520389::SMR000130800::cid_9551247 Coagulation factor XII 2020.393333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33468&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551247 252616375 ZINC04960421 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59921 O=C(Oc1nsnc1N1CCOCC1)c1ccccc1 InChI=1S/C13H13N3O3S/c17-13(10-4-2-1-3-5-10)19-12-11(14-20-15-12)16-6-8-18-9-7-16/h1-5H,6-9H2 RQOPSFJRTNGANZ-UHFFFAOYSA-N 33469 (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) benzoate::MLS000519185::SMR000129604::benzoic acid (4-morpholino-1,2,5-thiadiazol-3-yl) ester::benzoic acid [4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl] ester::cid_674516 Coagulation factor XII 4382.87 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33469&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 674516 252616376 ZINC00037001 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59922 O=C1N=C(S\C1=C/c1cccs1)c1ccccc1 InChI=1S/C14H9NOS2/c16-13-12(9-11-7-4-8-17-11)18-14(15-13)10-5-2-1-3-6-10/h1-9H/b12-9- NWASVBKZJPXEAH-XFXZXTDPSA-N 33470 (5Z)-2-phenyl-5-(2-thenylidene)-2-thiazolin-4-one::(5Z)-2-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one::(5Z)-2-phenyl-5-(thiophen-2-ylmethylidene)-4-thiazolone::MLS000519224::SMR000129643::cid_9551287 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33470&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551287 252616377 ZINC00199183 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59923 Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)c(sc2n1)S(C)(=O)=O InChI=1S/C21H18N2O2S2/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)18-19(22)21(27(2,24)25)26-20(18)23-17/h3-12H,22H2,1-2H3 AIEWVFVRSMCKDO-UHFFFAOYSA-N 33471 6-(4-methylphenyl)-2-(methylsulfonyl)-4-phenylthieno[2,3-b]pyridin-3-amine::6-(4-methylphenyl)-2-methylsulfonyl-4-phenyl-3-thieno[2,3-b]pyridinamine::6-(4-methylphenyl)-2-methylsulfonyl-4-phenyl-thieno[2,3-b]pyridin-3-amine::6-(4-methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine::MLS000535573::SMR000143009::[2-mesyl-4-phenyl-6-(p-tolyl)thieno[2,3-b]pyridin-3-yl]amine::cid_1316236 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33471&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1316236 252616378 ZINC01144177 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59924 COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C23H17N5O2/c1-30-18-11-7-8-16(14-18)22-19(15-27(25-22)17-9-3-2-4-10-17)23(29)28-21-13-6-5-12-20(21)24-26-28/h2-15H,1H3 JLDPLLXBILOCTH-UHFFFAOYSA-N 32728 1-benzotriazolyl-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone::1-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000536916::SMR000143553::benzotriazol-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone::benzotriazol-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone::cid_2140154 Coagulation factor XII 3926.52 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2140154 252615865 ZINC02697226 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59925 COc1cc(ccc1O)C(=O)n1nc(C)cc1C InChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)13(17)10-4-5-11(16)12(7-10)18-3/h4-7,16H,1-3H3 YRCJQSOMTKRNQO-UHFFFAOYSA-N 33472 (3,5-dimethyl-1-pyrazolyl)-(4-hydroxy-3-methoxyphenyl)methanone::(3,5-dimethyl-1H-pyrazol-1-yl)(4-hydroxy-3-methoxyphenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(3-methoxy-4-oxidanyl-phenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxy-phenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone::MLS000544956::SMR000126713::cid_1485768 Coagulation factor XII 11793.11 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33472&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1485768 252616379 ZINC01399761 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59926 COc1cccc(c1)-c1nc2ccccc2c(=O)o1 InChI=1S/C15H11NO3/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(17)19-14/h2-9H,1H3 DVJLPHFMBUSVQN-UHFFFAOYSA-N 33473 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one::2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one::MLS000536837::SMR000143474::cid_699931 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33473&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 699931 252616380 ZINC00079218 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59927 CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)c1ccccc1 InChI=1S/C19H24N4OS/c1-4-23-14(2)17(15(3)24)18(20-19(23)25)22-12-10-21(11-13-22)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3 RTDIDWVVPJYUCA-UHFFFAOYSA-N 33474 1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone::1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl]ethanone::1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone::1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone::1-[1-ethyl-6-methyl-4-(4-phenylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone::MLS000534333::SMR000141770::cid_1345918 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33474&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1345918 252616381 ZINC01182481 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59928 O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)n1nnc2ccccc12 InChI=1S/C22H15N5O/c28-22(27-20-14-8-7-13-19(20)23-25-27)18-15-26(17-11-5-2-6-12-17)24-21(18)16-9-3-1-4-10-16/h1-15H CYQKPQNCLCVFKT-UHFFFAOYSA-N 32823 1-benzotriazolyl-(1,3-diphenyl-4-pyrazolyl)methanone::Benzotriazol-1-yl-(1,3-diphenyl-1H-pyrazol-4-yl)-methanone::MLS000556310::SMR000147627::benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone::cid_1409855 Coagulation factor XII 4425.476667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32823&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1409855 252615959 ZINC01288046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59929 COc1cc(OC)cc(c1)C(=O)n1cnnc1N InChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) ITJOJULATKBZRP-UHFFFAOYSA-N 32824 (3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::MLS000557385::SMR000148302::cid_936917 Coagulation factor XII 375.646667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32824&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 936917 252615960 ZINC00531125 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59930 CC(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccccc1 InChI=1S/C18H14N2O3/c1-13(21)22-18-16(12-19-15-10-6-3-7-11-15)20-17(23-18)14-8-4-2-5-9-14/h2-12H,1H3/b19-12+ VXKKMMKQCRPJRL-XDHOZWIPSA-N 33475 Acetic acid 2-phenyl-4-[(E)-phenyliminomethyl]-oxazol-5-yl ester::MLS000552772::SMR000146287::[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate::[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] ethanoate::acetic acid [2-phenyl-4-(phenyliminomethyl)-5-oxazolyl] ester::acetic acid [2-phenyl-4-(phenyliminomethyl)oxazol-5-yl] ester::cid_915860 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33475&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 915860 252616382 ZINC13110437 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59931 Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C22H15ClN2O4/c1-14-4-6-15(7-5-14)21(26)29-22-18(13-24-17-10-8-16(23)9-11-17)25-20(28-22)19-3-2-12-27-19/h2-13H,1H3/b24-13+ XBMPBTVFQASWDA-ZMOGYAJESA-N 33476 4-Methyl-benzoic acid 4-{[(E)-4-chloro-phenylimino]-methyl}-2-furan-2-yl-oxazol-5-yl ester::4-methylbenzoic acid [4-[(4-chlorophenyl)iminomethyl]-2-(2-furanyl)-5-oxazolyl] ester::4-methylbenzoic acid [4-[(4-chlorophenyl)iminomethyl]-2-(2-furyl)oxazol-5-yl] ester::MLS000552774::SMR000146289::[4-[(4-chlorophenyl)iminomethyl]-2-(furan-2-yl)-1,3-oxazol-5-yl] 4-methylbenzoate::cid_1905664 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33476&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1905664 252616383 ZINC15979717 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59932 COC(=O)[C@H](C)NC(=O)NC(C)CCc1ccccc1 InChI=1S/C15H22N2O3/c1-11(9-10-13-7-5-4-6-8-13)16-15(19)17-12(2)14(18)20-3/h4-8,11-12H,9-10H2,1-3H3,(H2,16,17,19)/t11?,12-/m0/s1 JVANZOQBPDRQRF-KIYNQFGBSA-N 33477 (2S)-2-[(1-methyl-3-phenyl-propyl)carbamoylamino]propionic acid methyl ester::(2S)-2-[[oxo-(4-phenylbutan-2-ylamino)methyl]amino]propanoic acid methyl ester::(S)-2-[3-(1-Methyl-3-phenyl-propyl)-ureido]-propionic acid methyl ester::MLS000559568::SMR000149684::cid_9551838::methyl (2S)-2-(4-phenylbutan-2-ylcarbamoylamino)propanoate Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33477&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551838 252616384 ZINC02431954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59933 CC(C)C(C)(NC(=O)CSc1nnc(n1C)C(F)(F)F)C#N InChI=1S/C12H16F3N5OS/c1-7(2)11(3,6-16)17-8(21)5-22-10-19-18-9(20(10)4)12(13,14)15/h7H,5H2,1-4H3,(H,17,21) PNASGHGYIRUXOX-UHFFFAOYSA-N 33478 MLS000568095::N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide::SMR000154363::cid_9551871 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33478&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551871 252616385 ZINC03414038 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59934 CC(\N=c1/ccccn1C(=O)Nc1cccc(c1)C(F)(F)F)c1ccco1 InChI=1S/C19H16F3N3O2/c1-13(16-8-5-11-27-16)23-17-9-2-3-10-25(17)18(26)24-15-7-4-6-14(12-15)19(20,21)22/h2-13H,1H3,(H,24,26)/b23-17+ KXEUIJWKGSCQCR-HAVVHWLPSA-N 33479 2-[1-(2-furanyl)ethylimino]-N-[3-(trifluoromethyl)phenyl]-1-pyridinecarboxamide::2-[1-(2-furyl)ethylimino]-N-[3-(trifluoromethyl)phenyl]pyridine-1-carboxamide::2-[1-(furan-2-yl)ethylimino]-N-[3-(trifluoromethyl)phenyl]pyridine-1-carboxamide::MLS000536637::SMR000155550::cid_4690324 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33479&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4690324 252616386 ZINC49552138 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59935 COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1 InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17) LXMVXHNZRJORHN-UHFFFAOYSA-N 33480 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000569397::SMR000154983::cid_2316100::methyl 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 3848.673333 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33480&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2316100 252616387 ZINC06372146 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59936 Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)no1 InChI=1S/C19H20N4O4/c1-12-9-16(22-27-12)20-17(24)11-26-19(25)18-13(2)21-23(14(18)3)10-15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H,20,22,24) USJUWNBUUJTDCF-UHFFFAOYSA-N 32748 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester::3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester::MLS000566005::SMR000153154::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate::cid_2126283 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32748&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2126283 252615884 ZINC02662289 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59937 COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1 InChI=1S/C11H10N4O3/c1-18-10(17)8-12-11(15-14-8)13-9(16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14,15,16) AHBGDSREPWVVFA-UHFFFAOYSA-N 33481 3-benzamido-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000564054::SMR000151640::cid_2314281::methyl 3-benzamido-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 92.446667 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314281 252616388 ZINC12602627 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59938 Fc1ccc(NC(=O)CCSc2nnc3ccc4ccccc4n23)cc1 InChI=1S/C19H15FN4OS/c20-14-6-8-15(9-7-14)21-18(25)11-12-26-19-23-22-17-10-5-13-3-1-2-4-16(13)24(17)19/h1-10H,11-12H2,(H,21,25) SOOKCLBBQRPXBC-UHFFFAOYSA-N 32752 MLS000535158::N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide::N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamide::N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propionamide::SMR000142594::cid_1301366 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32752&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1301366 252615888 ZINC01125276 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59939 Cc1cccc(C)c1OCC(=O)N[N-][CH+]c1cc2OCOc2cc1[N+]([O-])=O InChI=1S/C18H17N3O6/c1-11-4-3-5-12(2)18(11)25-9-17(22)20-19-8-13-6-15-16(27-10-26-15)7-14(13)21(23)24/h3-8H,9-10H2,1-2H3,(H,20,22) WDHALLBDPGWXSU-UHFFFAOYSA-N 33482 2-(2,6-dimethylphenoxy)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]acetohydrazide::2-(2,6-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide::2-(2,6-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide::2-(2,6-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide::MLS000532168::SMR000137109::cid_1380868 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33482&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6893136 252616389 ZINC08579466 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 59940 O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(cc1)C#N InChI=1S/C18H21N3O4/c19-10-13-6-8-15(9-7-13)21-16(22)12-25-17(23)11-20-18(24)14-4-2-1-3-5-14/h6-9,14H,1-5,11-12H2,(H,20,24)(H,21,22) FNDKZAFZEOXKPT-UHFFFAOYSA-N 32753 2-(cyclohexanecarbonylamino)acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester::2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester::MLS000570346::SMR000150383::[2-(4-cyanoanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate::[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)ethanoate::cid_2100448 Coagulation factor XII >50000 7.4 23.00 C PubChem 10.7270/Q2PV6HQB aid728 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32753&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2100448 252615889 ZINC02637669 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75586 CC(C)(C)NC(=O)CN(C(=O)C1CSC(=O)C1)c1ccc2OCCOc2c1 InChI=1S/C19H24N2O5S/c1-19(2,3)20-16(22)10-21(18(24)12-8-17(23)27-11-12)13-4-5-14-15(9-13)26-7-6-25-14/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,20,22) CITSSDVQFJTVNH-UHFFFAOYSA-N 40325 5-Oxo-tetrahydro-thiophene-3-carboxylic acid (tert-butylcarbamoyl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide::MLS000074485::N-[2-(tert-butylamino)-2-keto-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-tetrahydrothiophene-3-carboxamide::N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-thiolane-3-carboxamide::N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-thiolanecarboxamide::N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxothiolane-3-carboxamide::SMR000007769::cid_644483 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40325&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644483 252621151 ZINC04898566 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75587 Fc1ccccc1N1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O InChI=1S/C19H18FN3O4S/c20-15-6-2-3-7-16(15)21-9-11-22(12-10-21)18(24)13-23-19(25)14-5-1-4-8-17(14)28(23,26)27/h1-8H,9-13H2 JCLPGYGJSIWNCO-UHFFFAOYSA-N 40326 2-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one::2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one::2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one::2-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one::2-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::MLS000075962::SMR000013901::cid_644612 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40326&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644612 252621152 ZINC00802791 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75588 COc1ccc(Cn2c(nc3ccc(NC(=O)C4CC4)cc3c2=O)C2CC2)cc1 InChI=1S/C23H23N3O3/c1-29-18-9-2-14(3-10-18)13-26-21(15-4-5-15)25-20-11-8-17(12-19(20)23(26)28)24-22(27)16-6-7-16/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,24,27) FUQIDMBYRBVIOB-UHFFFAOYSA-N 40327 Cyclopropanecarboxylic acid [2-cyclopropyl-3-(4-methoxy-benzyl)-4-oxo-3,4-dihydro-quinazolin-6-yl]-amide::MLS000070864::N-(2-cyclopropyl-4-keto-3-p-anisyl-quinazolin-6-yl)cyclopropanecarboxamide::N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-6-yl]cyclopropanecarboxamide::N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxo-6-quinazolinyl]cyclopropanecarboxamide::N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide::SMR000005898::cid_644793 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40327&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644793 252621153 ZINC01363112 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75589 NC(=O)Cn1cnc(c1)-c1ccccc1 InChI=1S/C11H11N3O/c12-11(15)7-14-6-10(13-8-14)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,12,15) AUTLEYXTEHWSER-UHFFFAOYSA-N 40328 2-(4-Phenyl-imidazol-1-yl)-acetamide::2-(4-phenyl-1-imidazolyl)acetamide::2-(4-phenylimidazol-1-yl)acetamide::2-(4-phenylimidazol-1-yl)ethanamide::MLS000031064::SMR000013079::cid_645126 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40328&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 645126 252621154 ZINC00375504 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75590 CC(=O)Nc1nc(=O)c2ccccc2s1 InChI=1S/C10H8N2O2S/c1-6(13)11-10-12-9(14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,11,12,13,14) IWJVWMRNUZDTCR-UHFFFAOYSA-N 40329 MLS000070655::N-(4-keto-1,3-benzothiazin-2-yl)acetamide::N-(4-oxidanylidene-1,3-benzothiazin-2-yl)ethanamide::N-(4-oxo-1,3-benzothiazin-2-yl)acetamide::N-[4-Oxo-3,4-dihydro-benzo[e][1,3]thiazin-(2E)-ylidene]-acetamide::SMR000011063::cid_646071 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40329&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 646071 252621155 ZINC18155648 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75591 CCOCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 InChI=1S/C19H24N4O3S/c1-3-26-12-11-23-15-16(22(2)18(25)21-17(15)24)20-19(23)27-13-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,21,24,25) DNROKXMFIBSJCT-UHFFFAOYSA-N 40330 7-(2-Ethoxy-ethyl)-3-methyl-8-(3-phenyl-propylsulfanyl)-3,7-dihydro-purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylthio)xanthine::MLS000076118::SMR000013545::cid_646336 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40330&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 646336 252621156 ZINC04136723 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75592 CCC(N1CCN(CC1)c1ccc(F)cc1)c1nnnn1Cc1ccc2OCOc2c1 InChI=1S/C22H25FN6O2/c1-2-19(28-11-9-27(10-12-28)18-6-4-17(23)5-7-18)22-24-25-26-29(22)14-16-3-8-20-21(13-16)31-15-30-20/h3-8,13,19H,2,9-12,14-15H2,1H3 BLEAGDQCDRKTLY-UHFFFAOYSA-N 40331 1-(4-fluorophenyl)-4-[1-(1-piperonyltetrazol-5-yl)propyl]piperazine::1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-(4-fluoro-phenyl)-piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]propyl]-4-(4-fluorophenyl)piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine::MLS000070781::SMR000005027::cid_648059 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40331&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 648059 252621157 ZINC61855115 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75593 COCCn1nnnc1C(N(Cc1ccco1)Cc1cccs1)c1cc2ccc(C)cc2[nH]c1=O InChI=1S/C25H26N6O3S/c1-17-7-8-18-14-21(25(32)26-22(18)13-17)23(24-27-28-29-31(24)9-11-33-2)30(15-19-5-3-10-34-19)16-20-6-4-12-35-20/h3-8,10,12-14,23H,9,11,15-16H2,1-2H3,(H,26,32) VAFAMONLBOOCII-UHFFFAOYSA-N 40332 3-[[2-furanylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-7-methyl-1H-quinolin-2-one::3-[[2-furfuryl(2-thenyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-carbostyril::3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one::3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one::3-{(Furan-2-ylmethyl-thiophen-2-ylmethyl-amino)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-7-methyl-1H-quinolin-2-one::MLS000068670::SMR000003359::cid_649438 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40332&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 649438 252621158 ZINC19222024 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75594 CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1 InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3 HAPFPNSMGAADOQ-UHFFFAOYSA-N 32758 1,3-Bis-(furan-2-carbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester::1,3-bis(2-furoyl)-2-keto-5-methyl-4-imidazoline-4-carboxylic acid ethyl ester::1,3-bis[2-furanyl(oxo)methyl]-5-methyl-2-oxo-4-imidazolecarboxylic acid ethyl ester::MLS000069038::SMR000010623::cid_650772::ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate::ethyl 1,3-bis(furan-2-ylcarbonyl)-5-methyl-2-oxidanylidene-imidazole-4-carboxylate Coagulation factor XII 8283.93 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32758&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650772 252615894 ZINC01446265 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75595 CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1ccco1 InChI=1S/C20H32N6O/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17/h5,8,13,16-17,19H,3-4,6-7,9-12,14-15H2,1-2H3 URTFIYKUVXFXPK-UHFFFAOYSA-N 40333 1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine::1-cyclopentyl-4-[1-[1-(2-furanylmethyl)-5-tetrazolyl]-3-methylbutyl]piperazine;hydrochloride::1-cyclopentyl-4-[1-[1-(2-furfuryl)tetrazol-5-yl]-3-methyl-butyl]piperazine;hydrochloride::1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-methyl-butyl]piperazine;hydrochloride::1-cyclopentyl-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine;hydrochloride::MLS000070789::SMR000005013::cid_6603057 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40333&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650779 252621159 ZINC19446907 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75596 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1 InChI=1S/C18H24ClN3O6S/c1-2-28-18(24)21-7-5-20(6-8-21)17(23)14-3-4-15(19)16(13-14)29(25,26)22-9-11-27-12-10-22/h3-4,13H,2,5-12H2,1H3 VICOOPXYHIKIRC-UHFFFAOYSA-N 40334 4-(4-chloro-3-morpholinosulfonyl-benzoyl)piperazine-1-carboxylic acid ethyl ester::4-[4-Chloro-3-(morpholine-4-sulfonyl)-benzoyl]-piperazine-1-carboxylic acid ethyl ester::4-[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester::MLS000035360::SMR000014876::cid_651207::ethyl 4-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate::ethyl 4-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40334&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651207 252621160 ZINC00687780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75597 Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1 InChI=1S/C16H22N2O4S/c1-12-4-6-13(7-5-12)18-16(20)11-23(21)10-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,18,20) GJNJTCMFMPRCGZ-UHFFFAOYSA-N 40335 2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(2-oxolanylmethyl)acetamide::2-[2-(4-methylanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide::2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-N-(oxolan-2-ylmethyl)ethanamide::2-[2-keto-2-(p-toluidino)ethyl]sulfinyl-N-(tetrahydrofurfuryl)acetamide::2-{[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-methanesulfinyl}-N-p-tolyl-acetamide::MLS000033049::SMR000006655::cid_651444 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40335&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651444 252621161 ZINC04388856 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75598 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3 RBMBACCNCLXNAF-UHFFFAOYSA-N 32665 2-furancarboxylic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::CHEMBL387812::Furan-2-carboxylic acid 5-amino-1-(toluene-4-sulfonyl)-1H-pyrazol-3-yl ester::MLS000033865::SMR000014913::US11584714, Compound 39#::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_651936::furan-2-carboxylic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Coagulation factor XII 16910.1 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32665&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651936 252615803 CHEMBL387812 ZINC00812571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75599 CC(C)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 InChI=1S/C14H14N4OS/c1-7(2)10-8(6-15)13(16)19-14-11(10)12(17-18-14)9-4-3-5-20-9/h3-5,7-8,10,16H,1-2H3,(H,17,18) ATOVWWWCVPTFHH-UHFFFAOYSA-N 40336 6-Amino-4-isopropyl-3-thiophen-2-yl-2,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-isopropyl-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-propan-2-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-azanyl-4-propan-2-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::MLS000033498::SMR000014022::cid_652353 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40336&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896443 252621162 ZINC06529232 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75600 COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1 InChI=1S/C20H19FN2O4/c1-27-15-7-6-13-10-14(19(25)22-18(13)11-15)12-23(8-9-24)20(26)16-4-2-3-5-17(16)21/h2-7,10-11,24H,8-9,12H2,1H3,(H,22,25) AFHUVGLMRIPVIY-UHFFFAOYSA-N 40337 2-Fluoro-N-(2-hydroxy-ethyl)-N-(7-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-benzamide::2-fluoranyl-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]benzamide::2-fluoro-N-(2-hydroxyethyl)-N-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]benzamide::2-fluoro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide::MLS000033869::SMR000004064::cid_652662 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40337&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 652662 252621163 ZINC08716803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75601 Cc1nnc(NC(=O)C2CCN(CC2)c2cnccn2)s1 InChI=1S/C13H16N6OS/c1-9-17-18-13(21-9)16-12(20)10-2-6-19(7-3-10)11-8-14-4-5-15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,18,20) FCBKSTCIAHYTOY-UHFFFAOYSA-N 40338 1-Pyrazin-2-yl-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide::MLS000073963::N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-pyrazinyl)-4-piperidinecarboxamide::N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-yl-isonipecotamide::N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-yl-piperidine-4-carboxamide::N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide::SMR000006891::cid_653442 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40338&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 653442 252621164 ZINC04375313 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75602 COC(=O)COc1cccc(c1)-n1cnnn1 InChI=1S/C10H10N4O3/c1-16-10(15)6-17-9-4-2-3-8(5-9)14-7-11-12-13-14/h2-5,7H,6H2,1H3 SANJOXKQMJSCCF-UHFFFAOYSA-N 40339 (3-Tetrazol-1-yl-phenoxy)-acetic acid methyl ester::2-[3-(1-tetrazolyl)phenoxy]acetic acid methyl ester::2-[3-(tetrazol-1-yl)phenoxy]acetic acid methyl ester::MLS000033413::SMR000002017::cid_653890::methyl 2-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]ethanoate::methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40339&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 653890 252621165 ZINC00882968 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75603 CC(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N InChI=1S/C24H28N4O/c1-17(2)24(29)28-14-12-27(13-15-28)23-21(16-25)19-10-6-7-11-20(19)22(26-23)18-8-4-3-5-9-18/h3-5,8-9,17H,6-7,10-15H2,1-2H3 ZEBRMTVTXWFYBM-UHFFFAOYSA-N 40340 3-(4-isobutyrylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::MLS000071329::SMR000035358::cid_658245 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40340&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 658245 252621166 ZINC20827830 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75604 COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1 InChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+ BYASTERBUAMEAY-UDWIEESQSA-N 32766 MLS000027597::SMR000039734::[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate::[4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] ethanoate::acetic acid [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-5-oxazolyl] ester::acetic acid [4-[(2-methoxyphenyl)iminomethyl]-2-phenyl-oxazol-5-yl] ester::cid_658724 Coagulation factor XII 48759.69 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32766&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 658724 252615902 ZINC13116098 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75605 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1 InChI=1S/C17H21N3O5/c1-3-25-16(21)15-14(19-17(22)20-6-8-24-9-7-20)12-10-11(23-2)4-5-13(12)18-15/h4-5,10,18H,3,6-9H2,1-2H3,(H,19,22) GHFUXARNTUREFC-UHFFFAOYSA-N 40341 5-methoxy-3-(morpholine-4-carbonylamino)-1H-indole-2-carboxylic acid ethyl ester::5-methoxy-3-[[4-morpholinyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester::MLS000080073::SMR000041472::cid_660697::ethyl 5-methoxy-3-(morpholin-4-ylcarbonylamino)-1H-indole-2-carboxylate::ethyl 5-methoxy-3-(morpholine-4-carbonylamino)-1H-indole-2-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40341&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660697 252621167 ZINC00549034 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75606 Cc1ccc2[nH]c3c(NCC=C)ncnc3c2c1 InChI=1S/C14H14N4/c1-3-6-15-14-13-12(16-8-17-14)10-7-9(2)4-5-11(10)18-13/h3-5,7-8,18H,1,6H2,2H3,(H,15,16,17) HMKHTZJLQYRQSJ-UHFFFAOYSA-N 40342 8-methyl-N-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-amine::MLS000041480::SMR000044998::allyl-(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)amine::cid_664196 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40342&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 664196 252621168 ZINC04301884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75607 CCc1cc2cc(sc2s1)C(=O)Nc1ccccc1F InChI=1S/C15H12FNOS2/c1-2-10-7-9-8-13(20-15(9)19-10)14(18)17-12-6-4-3-5-11(12)16/h3-8H,2H2,1H3,(H,17,18) WHLQQOPJXRTWRO-UHFFFAOYSA-N 40343 2-ethyl-N-(2-fluorophenyl)-5-thieno[2,3-b]thiophenecarboxamide::2-ethyl-N-(2-fluorophenyl)thieno[2,3-b]thiophene-5-carboxamide::MLS000068811::SMR000036619::cid_664493 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40343&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 664493 252621169 ZINC00382999 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75608 COc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2OCCOc2c1 InChI=1S/C24H22N4O4S2/c1-30-18-7-5-17(6-8-18)28-22(14-19-3-2-12-33-19)26-27-24(28)34-15-23(29)25-16-4-9-20-21(13-16)32-11-10-31-20/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,29) ICSHLXOIOCNYGL-UHFFFAOYSA-N 40344 MLS000083367::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-methoxyphenyl)-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide::SMR000047263::cid_665989 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40344&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 665989 252621170 ZINC02439747 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75609 CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O InChI=1S/C19H19NO4/c1-18(2)23-16(21)19(17(22)24-18)10-14-13-7-5-4-6-12(13)8-9-15(14)20(3)11-19/h4-9H,10-11H2,1-3H3 GZYQGCVTBBFBPH-UHFFFAOYSA-N 34586 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione::2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-quinone::MLS000083554::SMR000047519::cid_666313 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34586&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 666313 252617239 ZINC02204604 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75610 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCOCC1)c1cccs1 InChI=1S/C21H29N3O4S2/c1-3-24(4-2)30(26,27)18-9-7-17(8-10-18)21(25)22-16-19(20-6-5-15-29-20)23-11-13-28-14-12-23/h5-10,15,19H,3-4,11-14,16H2,1-2H3,(H,22,25) BVNVBSOEFMFBJH-UHFFFAOYSA-N 40345 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)benzamide;hydrochloride::4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride::4-(diethylsulfamoyl)-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide;hydrochloride::4-(diethylsulfamoyl)-N-[2-morpholino-2-(2-thienyl)ethyl]benzamide;hydrochloride::MLS000098039::SMR000065688::cid_6603385 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40345&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2997555 252621171 ZINC23596729 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75611 COc1ccc(cc1OC)-c1nnc(SCC(=O)Nc2cc(C)on2)n1N InChI=1S/C16H18N6O4S/c1-9-6-13(21-26-9)18-14(23)8-27-16-20-19-15(22(16)17)10-4-5-11(24-2)12(7-10)25-3/h4-7H,8,17H2,1-3H3,(H,18,21,23) RFDRLOHWIWKODP-UHFFFAOYSA-N 40346 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide::2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide::2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide::2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide::MLS000097797::SMR000063983::cid_2078706 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40346&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2078706 252621172 ZINC02616896 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75612 O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 InChI=1S/C22H26N4O5S/c27-20(14-26-21(28)17-6-3-4-7-18(17)22(26)29)24-15-9-11-16(12-10-15)32(30,31)25-19-8-2-1-5-13-23-19/h3-4,9-12,17-18H,1-2,5-8,13-14H2,(H,23,25)(H,24,27) UGEAOHAHWYPTFF-UHFFFAOYSA-N 40347 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide::2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide::2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide::MLS000058710::SMR000067215::cid_2997841 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40347&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2997841 252621173 ZINC12532950 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75613 CC(=O)NCC(=O)OCC(=O)Nc1ccc(cc1)C(C)=O InChI=1S/C14H16N2O5/c1-9(17)11-3-5-12(6-4-11)16-13(19)8-21-14(20)7-15-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19) WLWAKHVTQODTJV-UHFFFAOYSA-N 40348 2-acetamidoacetic acid [2-(4-acetylanilino)-2-keto-ethyl] ester::2-acetamidoacetic acid [2-(4-acetylanilino)-2-oxoethyl] ester::MLS000089275::SMR000062659::[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate::[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamidoethanoate::cid_2418751 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40348&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2418751 252621174 ZINC03303139 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75614 CCc1ccc(OCc2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CC=C)cc1 InChI=1S/C21H28N4O4S2/c1-4-11-25-19(13-29-18-8-6-16(5-2)7-9-18)22-23-21(25)30-14-20(26)24(3)17-10-12-31(27,28)15-17/h4,6-9,17H,1,5,10-15H2,2-3H3 ZXLJWXPMNKGASO-UHFFFAOYSA-N 40349 2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1,1-diketothiolan-3-yl)-N-methyl-acetamide::MLS000058718::N-(1,1-dioxo-3-thiolanyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide::N-(1,1-dioxothiolan-3-yl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide::SMR000067223::cid_2999475 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40349&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2999475 252621175 ZINC04162381 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75615 COc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)S(=O)(=O)N2CCCCC2)cn1 InChI=1S/C23H30N4O4S/c1-31-22-11-8-18(17-24-22)25-23(28)20-16-19(32(29,30)27-14-6-3-7-15-27)9-10-21(20)26-12-4-2-5-13-26/h8-11,16-17H,2-7,12-15H2,1H3,(H,25,28) WDHXJJDMPBYSPB-UHFFFAOYSA-N 40350 MLS000057539::N-(6-methoxy-3-pyridinyl)-2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)benzamide::N-(6-methoxy-3-pyridyl)-2-piperidino-5-piperidinosulfonyl-benzamide::N-(6-methoxypyridin-3-yl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzamide::N-(6-methoxypyridin-3-yl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide::SMR000064341::cid_2093033 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40350&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2093033 252621176 ZINC02630644 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75616 Cn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O InChI=1S/C23H24N4O3/c1-25-22(29)20(21(24)27(23(25)30)14-16-8-3-2-4-9-16)19(28)15-26-13-7-11-17-10-5-6-12-18(17)26/h2-6,8-10,12H,7,11,13-15,24H2,1H3 XQFMAOSAMUMPHE-UHFFFAOYSA-N 40351 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-methyl-pyrimidine-2,4-quinone::6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-methylpyrimidine-2,4-dione::6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione::6-azanyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione::MLS000056405::SMR000067370::cid_2087892 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40351&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2087892 252621177 ZINC02625674 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75617 Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1 InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3 GUZMAFFEUZOWIP-UHFFFAOYSA-N 32778 MLS000081703::SMR000062919::[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate::[2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate::benzoic acid [2-(2-cyanoethyl)-5-methyl-3-pyrazolyl] ester::benzoic acid [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] ester::cid_2366780 Coagulation factor XII 7623.52 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32778&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2366780 252615914 ZINC03249673 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75618 Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1 InChI=1S/C14H14ClNO3/c1-9-13(10(2)19-16-9)8-18-14(17)7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3 XCLSPNCGCOYKEW-UHFFFAOYSA-N 40352 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)acetate::(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chlorophenyl)ethanoate::2-(4-chlorophenyl)acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester::2-(4-chlorophenyl)acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester::MLS000048478::SMR000062833::cid_2433558 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40352&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2433558 252621178 ZINC03317831 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75619 Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC=C InChI=1S/C18H19N5O2S/c1-4-7-26-18-22-21-15(9-13-10-16(24)20-17(25)19-13)23(18)14-8-11(2)5-6-12(14)3/h4-6,8,10H,1,7,9H2,2-3H3,(H2,19,20,24,25) RTSRRSYBTPIYRS-UHFFFAOYSA-N 40353 6-[[4-(2,5-dimethylphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione::6-[[4-(2,5-dimethylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione::6-[[5-(allylthio)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]uracil::6-{[5-(allylthio)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione::MLS000045536::SMR000027293::cid_3236094 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40353&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3236094 252621179 ZINC04057665 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75620 CCOC(=O)N1CCN(CC1)c1ncnc2sc(C(=O)OCC)c(C)c12 InChI=1S/C17H22N4O4S/c1-4-24-16(22)13-11(3)12-14(18-10-19-15(12)26-13)20-6-8-21(9-7-20)17(23)25-5-2/h10H,4-9H2,1-3H3 NFTXYWUFEVLODH-UHFFFAOYSA-N 40354 4-(4-carbethoxypiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester::4-(4-ethoxycarbonyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester::MLS000046984::SMR000032995::cid_3236381::ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate::ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate::ethyl 4-[4-(ethoxycarbonyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40354&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3236381 252621180 ZINC02921756 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75621 COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1 InChI=1S/C21H21ClN4O6S/c1-29-15-7-8-16(17(9-15)30-2)24-19(28)12-33-21-26-25-20(32-21)10-23-18(27)11-31-14-5-3-13(22)4-6-14/h3-9H,10-12H2,1-2H3,(H,23,27)(H,24,28) ZAKYCQCVKIRTES-UHFFFAOYSA-N 40355 2-(4-chloranylphenoxy)-N-[[5-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]ethanamide::2-(4-chlorophenoxy)-N-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide::2-(4-chlorophenoxy)-N-[[5-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide::2-(4-chlorophenoxy)-N-[[5-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide::2-(4-chlorophenoxy)-N-{[5-({2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide::MLS000091564::SMR000026117::cid_3237102 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40355&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237102 252621181 ZINC04111623 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75622 O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1 InChI=1S/C14H12N4O2S/c19-13(11-7-4-8-20-11)15-9-12-16-17-14(21)18(12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,19)(H,17,21) BMWGHJJJCAITRO-UHFFFAOYSA-N 38594 MLS000087772::N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-furancarboxamide::N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide::N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-2-furamide::N-[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-furamide::SMR000023992::cid_3237191 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38594&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237191 252619499 ZINC02475312 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75623 Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3 DBGICQIDMMUZNS-UHFFFAOYSA-N 38595 2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin-4-one::2-[(4-chlorophenoxy)methyl]-3-methyl-4-quinazolinone::2-[(4-chlorophenoxy)methyl]-3-methyl-quinazolin-4-one::2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4(3H)-one::2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one::MLS000088505::SMR000024125::cid_583515 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38595&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 583515 252619500 ZINC00085031 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75624 CCOCC(=O)Nc1cc(ccc1C)-c1cn2cccnc2n1 InChI=1S/C17H18N4O2/c1-3-23-11-16(22)19-14-9-13(6-5-12(14)2)15-10-21-8-4-7-18-17(21)20-15/h4-10H,3,11H2,1-2H3,(H,19,22) IZBABRHCSGGXAW-UHFFFAOYSA-N 40356 2-ethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methyl-phenyl)acetamide::2-ethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methyl-phenyl)ethanamide::2-ethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide::2-ethoxy-N-[5-(2-imidazo[1,2-a]pyrimidinyl)-2-methylphenyl]acetamide::MLS000045939::SMR000028311::cid_3237391 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40356&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237391 252621182 ZINC04004934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75625 O=C(CN1C(=O)C2C3CC(C=C3)C2C1=O)NCCC1=CCCCC1 InChI=1S/C19H24N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h4,6-7,13-14,16-17H,1-3,5,8-11H2,(H,20,22) GOAMFDINFKIMQQ-UHFFFAOYSA-N 40357 MLS000047503::N-(2-cyclohex-1-en-1-ylethyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide::SMR000033514::cid_3237540 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40357&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237540 242052976 ZINC04111038 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75626 COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S InChI=1S/C18H18N4O3S/c1-24-15-10-6-5-9-14(15)22-16(20-21-18(22)26)11-19-17(23)12-25-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,21,26) DOPJRMACADNHPF-UHFFFAOYSA-N 40358 MLS000088528::N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide::N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide::N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide::N-{[4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide::SMR000024148::cid_3237855 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40358&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237855 252621183 ZINC06498192 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75627 CC(C)NC(=O)CCCc1cn(C)c2ccccc12 InChI=1S/C16H22N2O/c1-12(2)17-16(19)10-6-7-13-11-18(3)15-9-5-4-8-14(13)15/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,17,19) KBGBJGTYOSDAFM-UHFFFAOYSA-N 40359 4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide::4-(1-methylindol-3-yl)-N-propan-2-yl-butanamide::4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide::MLS000096057::N-isopropyl-4-(1-methyl-1H-indol-3-yl)butanamide::N-isopropyl-4-(1-methylindol-3-yl)butyramide::SMR000032005::cid_3238185 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40359&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3238185 252621184 ZINC00218741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75628 COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1 InChI=1S/C15H14N2O3/c1-10-15(13(18)8-17-6-5-16-9-17)12-7-11(19-2)3-4-14(12)20-10/h3-7,9H,8H2,1-2H3 ORXWSLDGQVRACV-UHFFFAOYSA-N 40360 2-(1-imidazolyl)-1-(5-methoxy-2-methyl-3-benzofuranyl)ethanone::2-(1H-imidazol-1-yl)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone::2-imidazol-1-yl-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanone::2-imidazol-1-yl-1-(5-methoxy-2-methyl-benzofuran-3-yl)ethanone::MLS000085583::SMR000020518::cid_3076954 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40360&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3076954 252621185 ZINC02489111 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75629 CCOC(=O)c1nnn(c1CNc1ccc(C)c(Br)c1)-c1nonc1N InChI=1S/C15H16BrN7O3/c1-3-25-15(24)12-11(7-18-9-5-4-8(2)10(16)6-9)23(22-19-12)14-13(17)20-26-21-14/h4-6,18H,3,7H2,1-2H3,(H2,17,20) UJHIADNNLJNJLM-UHFFFAOYSA-N 40361 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-4-triazolecarboxylic acid ethyl ester::1-(4-aminofurazan-3-yl)-5-[(3-bromo-4-methyl-anilino)methyl]triazole-4-carboxylic acid ethyl ester::MLS000043856::SMR000021067::cid_1044872::ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]triazole-4-carboxylate::ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3-bromo-4-methylphenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate::ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-4-methyl-phenyl)amino]methyl]-1,2,3-triazole-4-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40361&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1044872 252621186 ZINC00718694 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75630 COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1 InChI=1S/C27H33N5O3/c1-18-5-8-24(35-4)23(15-18)30-27(34)10-9-26(33)28-20-6-7-22-21(17-20)19(2)16-25(29-22)32-13-11-31(3)12-14-32/h5-8,15-17H,9-14H2,1-4H3,(H,28,33)(H,30,34) PTRLANIIQYVQQC-UHFFFAOYSA-N 40362 MLS000044908::N'-(2-methoxy-5-methyl-phenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide::N'-(2-methoxy-5-methyl-phenyl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]succinamide::N'-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]butanediamide::N'-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide::N-(2-methoxy-5-methylphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]succinamide::SMR000023015::cid_3239574 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40362&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3239574 252621187 ZINC04101277 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75631 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1cccc(Cl)c1)c1cccnc1 InChI=1S/C25H27ClN4O2/c1-32-23-9-7-22(8-10-23)29-12-14-30(15-13-29)24(20-5-3-11-27-17-20)18-28-25(31)19-4-2-6-21(26)16-19/h2-11,16-17,24H,12-15,18H2,1H3,(H,28,31) ZPVWRXFBRZSFAZ-UHFFFAOYSA-N 40363 3-chloranyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide::3-chloro-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide::3-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide::3-chloro-N-[2-[4-(4-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]benzamide::3-chloro-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl}benzamide::MLS000094394::SMR000029973::cid_3240145 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40363&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3240145 252621188 ZINC56896150 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75632 CC(C)CCn1c(=S)[nH]c2ncccc2c1=O InChI=1S/C12H15N3OS/c1-8(2)5-7-15-11(16)9-4-3-6-13-10(9)14-12(15)17/h3-4,6,8H,5,7H2,1-2H3,(H,13,14,17) SDGJDKNCDDMKLR-UHFFFAOYSA-N 40364 3-(3-methylbutyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one::3-(3-methylbutyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one::3-isoamyl-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one::MLS000094802::SMR000030355::cid_3240334 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40364&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3240334 252621189 ZINC00424547 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75633 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1 InChI=1S/C22H27N3O6S/c1-3-31-22(27)25-14-12-24(13-15-25)21(26)18-6-4-17(5-7-18)16-23-32(28,29)20-10-8-19(30-2)9-11-20/h4-11,23H,3,12-16H2,1-2H3 SNURVLFRIAOHEI-UHFFFAOYSA-N 40365 4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester::4-[[4-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester::MLS000091950::SMR000026474::cid_3241212::ethyl 4-[4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)benzoyl]piperazine-1-carboxylate::ethyl 4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzoyl]piperazine-1-carboxylate::ethyl 4-[4-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]carbonylpiperazine-1-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40365&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241212 252621190 ZINC04436111 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75634 COc1ccc2-c3onc(C(=O)NCc4cccnc4)c3CCc2c1 InChI=1S/C19H17N3O3/c1-24-14-5-7-15-13(9-14)4-6-16-17(22-25-18(15)16)19(23)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,23) IDPPIZVOMYKNMR-UHFFFAOYSA-N 37413 7-methoxy-N-(3-pyridinylmethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide::7-methoxy-N-(3-pyridylmethyl)-4,5-dihydrobenz[g]indoxazene-3-carboxamide::7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide::7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide::MLS000087435::SMR000023658::cid_3241578 Coagulation factor XII 3757.616667 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37413&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241578 252618384 ZINC00426638 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75635 O=C1CN(C2CCCCC2)C(=O)C(N1CCC1=CCCCC1)c1ccncc1 InChI=1S/C23H31N3O2/c27-21-17-26(20-9-5-2-6-10-20)23(28)22(19-11-14-24-15-12-19)25(21)16-13-18-7-3-1-4-8-18/h7,11-12,14-15,20,22H,1-6,8-10,13,16-17H2 FIWLCMQMHSJMAX-UHFFFAOYSA-N 40366 4-(2-cyclohex-1-en-1-ylethyl)-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione::4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione::4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-pyridyl)piperazine-2,5-quinone::4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-yl-piperazine-2,5-dione::4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione::MLS000046100::SMR000031709::cid_3241930 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40366&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241930 252621191 ZINC03037712 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75636 CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1 InChI=1S/C17H23N3O3/c1-4-6-11-17(5-2)14(19-16(22)20-15(17)21)18-12-7-9-13(23-3)10-8-12/h7-10H,4-6,11H2,1-3H3,(H2,18,19,20,21,22) UJGCCRPWGDSHRC-UHFFFAOYSA-N 40367 5-butyl-5-ethyl-6-(4-methoxyanilino)pyrimidine-2,4-dione::5-butyl-5-ethyl-6-(p-anisidino)pyrimidine-2,4-quinone::5-butyl-5-ethyl-6-[(4-methoxyphenyl)amino]pyrimidine-2,4(3H,5H)-dione::5-butyl-5-ethyl-6-[(4-methoxyphenyl)amino]pyrimidine-2,4-dione::MLS000043186::SMR000019807::cid_3064844 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40367&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3064844 252621192 ZINC04057751 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75637 CCC1=C\C(=C/c2ccc3OCOc3c2)C(=O)S1 InChI=1S/C14H12O3S/c1-2-11-7-10(14(15)18-11)5-9-3-4-12-13(6-9)17-8-16-12/h3-7H,2,8H2,1H3/b10-5+ BUOREIVKKAYCJA-BJMVGYQFSA-N 40368 (3E)-3-(1,3-benzodioxol-5-ylmethylene)-5-ethylthiophen-2(3H)-one::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-2-thiophenone::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethyl-thiophen-2-one::(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one::(3E)-5-ethyl-3-piperonylidene-thiophen-2-one::MLS000087677::SMR000023898::cid_5476555 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40368&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5476555 252621193 ZINC05171191 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75638 O=C(Cc1ccc(cc1)-n1cccc1)N1CCc2ccccc12 InChI=1S/C20H18N2O/c23-20(22-14-11-17-5-1-2-6-19(17)22)15-16-7-9-18(10-8-16)21-12-3-4-13-21/h1-10,12-13H,11,14-15H2 RWAMCYOMQJYQTP-UHFFFAOYSA-N 40369 1-(2,3-dihydroindol-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone::1-(2,3-dihydroindol-1-yl)-2-[4-(1-pyrrolyl)phenyl]ethanone::1-indolin-1-yl-2-(4-pyrrol-1-ylphenyl)ethanone::1-{[4-(1H-pyrrol-1-yl)phenyl]acetyl}indoline::MLS000047180::SMR000033191::cid_3243138 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40369&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3243138 252621194 ZINC02928344 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75639 CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O InChI=1S/C21H21ClN4O2S/c1-24-8-10-25(11-9-24)19(27)15-4-7-17-18(12-15)23-21(29)26(20(17)28)13-14-2-5-16(22)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,23,29) KZCCOJSSVNZXEE-UHFFFAOYSA-N 50197627 3-(4-chlorobenzyl)-7-(1-methylpiperazine-4-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::CHEMBL427449::cid_3243445 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197627&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3243445 104078929 CHEMBL427449 ZINC20645387 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75640 CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C InChI=1S/C16H20N4O3S/c1-3-23-15(22)11-24-16-19-18-13(20(16)2)10-17-14(21)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,17,21) AEYMMMCPMGPYRP-UHFFFAOYSA-N 40370 2-[[4-methyl-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000087551::SMR000023773::cid_866654::ethyl 2-[[4-methyl-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate::ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40370&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 866654 252621195 ZINC00426935 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75641 CC(C)(C)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1 InChI=1S/C14H17N3O4S/c1-14(2,3)13(18)21-12-9-11(15)17(16-12)22(19,20)10-7-5-4-6-8-10/h4-9H,15H2,1-3H3 LNQHVRCKKKMURC-UHFFFAOYSA-N 40371 2,2-dimethylpropanoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester::2,2-dimethylpropionic acid (5-amino-1-besyl-pyrazol-3-yl) ester::5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate::MLS000044153::SMR000021563::[5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate::[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2,2-dimethylpropanoate::cid_3243640 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40371&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3243640 252621196 ZINC04035492 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75642 CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl InChI=1S/C15H20ClFN2O3S/c1-2-23(21,22)19-7-5-11(6-8-19)15(20)18-10-12-3-4-13(17)9-14(12)16/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,20) BVCZGIWUAVZBNX-UHFFFAOYSA-N 40372 MLS000096234::N-(2-chloro-4-fluoro-benzyl)-1-esyl-isonipecotamide::N-(2-chloro-4-fluorobenzyl)-1-(ethylsulfonyl)piperidine-4-carboxamide::N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide::N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonyl-4-piperidinecarboxamide::N-[(2-chloro-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide::SMR000032182::cid_3244069 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40372&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3244069 252621197 ZINC02943636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75643 CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1 InChI=1S/C13H14N2O4S/c1-8-13(10(3)19-14-8)20(17,18)15-12-6-4-5-11(7-12)9(2)16/h4-7,15H,1-3H3 MZVWVVRFDDLKPE-UHFFFAOYSA-N 40373 MLS000091445::N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide::N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide::N-(3-acetylphenyl)-3,5-dimethyl-isoxazole-4-sulfonamide::N-(3-acetylphenyl)-3,5-dimethylisoxazole-4-sulfonamide::N-(3-ethanoylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide::SMR000026000::cid_3245061 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40373&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3245061 252621198 ZINC04001620 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75644 CC(=O)n1nc2nc(C)cc(C)c2c1N InChI=1S/C10H12N4O/c1-5-4-6(2)12-10-8(5)9(11)14(13-10)7(3)15/h4H,11H2,1-3H3 QUCBBNOPVFRPAV-UHFFFAOYSA-N 40374 1-(3-amino-4,6-dimethyl-2-pyrazolo[3,4-b]pyridinyl)ethanone::1-(3-amino-4,6-dimethyl-pyrazolo[3,4-b]pyridin-2-yl)ethanone::1-(3-amino-4,6-dimethylpyrazolo[3,4-b]pyridin-2-yl)ethanone::1-(3-azanyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-2-yl)ethanone::2-acetyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine::MLS000045822::SMR000028219::cid_3245414 Coagulation factor XII 4812.726667 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40374&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3245414 252621199 ZINC03959325 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75645 Cc1cc(cc(C)c1S(=O)(=O)NCCOc1ccccc1)N1CCCC1=O InChI=1S/C20H24N2O4S/c1-15-13-17(22-11-6-9-19(22)23)14-16(2)20(15)27(24,25)21-10-12-26-18-7-4-3-5-8-18/h3-5,7-8,13-14,21H,6,9-12H2,1-2H3 GDFYWRDQXKENEG-UHFFFAOYSA-N 40375 2,6-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide::2,6-dimethyl-4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide::2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide::4-(2-ketopyrrolidino)-2,6-dimethyl-N-(2-phenoxyethyl)benzenesulfonamide::MLS000052392::SMR000081759::cid_1811245 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40375&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1811245 252621200 ZINC02171084 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75646 Fc1cccc(c1)C(=O)n1nnc2ccccc12 InChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13(18)17-12-7-2-1-6-11(12)15-16-17/h1-8H OBZIPCONUJAXFL-UHFFFAOYSA-N 40376 1-(3-fluorobenzoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(3-fluorophenyl)methanone::MLS000099591::SMR000071347::benzotriazol-1-yl-(3-fluorophenyl)methanone::cid_807814 Coagulation factor XII 10472.44333 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40376&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 807814 252621201 ZINC00318396 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75647 COC(=O)c1ccccc1NC(=O)N1CCN(CC1)C(=O)c1ccco1 InChI=1S/C18H19N3O5/c1-25-17(23)13-5-2-3-6-14(13)19-18(24)21-10-8-20(9-11-21)16(22)15-7-4-12-26-15/h2-7,12H,8-11H2,1H3,(H,19,24) XYXNVTIISTWIGZ-UHFFFAOYSA-N 40377 2-[[4-(2-furoyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester::2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester::MLS000063869::SMR000076680::cid_2207221::methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbonyl}amino)benzoate::methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]benzoate::methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylamino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40377&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2207221 252621202 ZINC02853558 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75648 O=C(CCC1COc2ccccc2O1)NCc1ccco1 InChI=1S/C16H17NO4/c18-16(17-10-12-4-3-9-19-12)8-7-13-11-20-14-5-1-2-6-15(14)21-13/h1-6,9,13H,7-8,10-11H2,(H,17,18) NBHYJZVCXZMVJU-UHFFFAOYSA-N 40378 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(2-furylmethyl)propanamide::3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-furanylmethyl)propanamide::3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-furfuryl)propionamide::3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(furan-2-ylmethyl)propanamide::MLS000065376::SMR000079140::cid_2965121 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40378&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2965121 252621203 ZINC02117826 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75649 COc1ccccc1C(=O)n1nc(nc1N)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c1-23-13-5-3-2-4-12(13)15(22)21-16(18)19-14(20-21)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20) DBMRKGDJNJUXND-UHFFFAOYSA-N 33435 3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000096819::SMR000074510::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_975143 Coagulation factor XII 7645.293333 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 975143 252616343 ZINC00616538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75650 O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1 InChI=1S/C15H17N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,16,17,19) JYXYORMUHPDZOG-UHFFFAOYSA-N 40379 3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide::3-(1-piperidinylsulfonyl)-N-1,3-thiazol-2-ylbenzamide::3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide::3-piperidinosulfonyl-N-thiazol-2-yl-benzamide::MLS000061449::SMR000069859::cid_1101752 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40379&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1101752 252621204 ZINC00826745 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75651 CCCS(=O)(=O)N1CCN(CC1)c1ccccc1F InChI=1S/C13H19FN2O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6H,2,7-11H2,1H3 VIJDFUIVZNQXIB-UHFFFAOYSA-N 40380 1-(2-fluorophenyl)-4-(propylsulfonyl)piperazine::1-(2-fluorophenyl)-4-propylsulfonyl-piperazine::1-(2-fluorophenyl)-4-propylsulfonylpiperazine::MLS000063166::SMR000074652::cid_2947309 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40380&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2947309 252621205 ZINC04058377 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75652 FC(F)C(F)(F)COCc1ccc(cc1)C(=O)NCC1CCCO1 InChI=1S/C16H19F4NO3/c17-15(18)16(19,20)10-23-9-11-3-5-12(6-4-11)14(22)21-8-13-2-1-7-24-13/h3-6,13,15H,1-2,7-10H2,(H,21,22) NWELHOQLZPPZGR-UHFFFAOYSA-N 40381 4-(2,2,3,3-tetrafluoropropoxymethyl)-N-(tetrahydrofurfuryl)benzamide::4-[(2,2,3,3-tetrafluoropropoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide::MLS000062422::N-(2-oxolanylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide::N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide::N-(oxolan-2-ylmethyl)-4-[2,2,3,3-tetrakis(fluoranyl)propoxymethyl]benzamide::SMR000073121::cid_2941650 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40381&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2941650 252621206 ZINC00468071 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75653 O=C(c1csc2ccccc12)n1cccn1 InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H PMDFFILEMKLIDC-UHFFFAOYSA-N 32791 1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole::1-benzothiophen-3-yl(1-pyrazolyl)methanone::1-benzothiophen-3-yl(pyrazol-1-yl)methanone::MLS000065687::SMR000080341::benzothiophen-3-yl(pyrazol-1-yl)methanone::cid_841465 Coagulation factor XII 4026.33 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32791&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 841465 252615927 ZINC00371486 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75654 O=C(c1csc2CCCCc12)n1cccn1 InChI=1S/C12H12N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h3,6-8H,1-2,4-5H2 YREXHXNSUMZDHN-UHFFFAOYSA-N 40382 1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1H-pyrazole::1-pyrazolyl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone::MLS000065702::SMR000080360::cid_1245419::pyrazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone::pyrazol-1-yl(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Coagulation factor XII 5393.38 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40382&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1245419 252621207 ZINC01053835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75655 CC(=O)c1c(C)nn(CC(O)COc2ccc3CCCc3c2)c1C InChI=1S/C19H24N2O3/c1-12-19(14(3)22)13(2)21(20-12)10-17(23)11-24-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,23H,4-6,10-11H2,1-3H3 JNWKHNANKUHZDT-UHFFFAOYSA-N 40383 1-[1-(2-hydroxy-3-indan-5-yloxy-propyl)-3,5-dimethyl-pyrazol-4-yl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-4-pyrazolyl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone::1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]-3,5-dimethyl-pyrazol-4-yl]ethanone::1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone::MLS000050727::SMR000078224::cid_2962051 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40383&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2962051 252621208 ZINC00614532 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75656 COc1cccc(C(=O)n2cnnc2N)c1OC InChI=1S/C11H12N4O3/c1-17-8-5-3-4-7(9(8)18-2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) NKPSSJSMZHHWJT-UHFFFAOYSA-N 40384 (3-amino-1,2,4-triazol-4-yl)-(2,3-dimethoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(2,3-dimethoxyphenyl)methanone::4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine::MLS000099877::SMR000080908::cid_2226284 Coagulation factor XII 3640.303333 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40384&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2226284 252621209 ZINC02873702 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75657 COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1 InChI=1S/C16H15N5O2/c1-23-13-6-4-11(5-7-13)9-14(22)21-16(17)19-15(20-21)12-3-2-8-18-10-12/h2-8,10H,9H2,1H3,(H2,17,19,20) GTLWZDWHNMMHMP-UHFFFAOYSA-N 33581 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-[(4-methoxyphenyl)acetyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::MLS000064365::SMR000076607::cid_970094 Coagulation factor XII 936.573333 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33581&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970094 252616486 ZINC00609406 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75658 CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl InChI=1S/C14H13Cl2N3O3S/c1-19(9-14(20)18-11-3-2-6-17-8-11)23(21,22)13-7-10(15)4-5-12(13)16/h2-8H,9H2,1H3,(H,18,20) XWISOOCATLZOMD-UHFFFAOYSA-N 40385 2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-N-(3-pyridyl)acetamide::2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-pyridinyl)acetamide::2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide::2-[[2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]-N-pyridin-3-yl-ethanamide::MLS000064906::N~2~-[(2,5-dichlorophenyl)sulfonyl]-N~2~-methyl-N~1~-3-pyridinylglycinamide::SMR000077908::cid_1300520 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40385&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1300520 252621210 ZINC01124276 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75659 Nc1nc(nn1C(=O)Cc1ccccc1)-c1cccnc1 InChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19) UQFXNLGTCOBRMQ-UHFFFAOYSA-N 33439 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::MLS000050055::SMR000077068::cid_971620 Coagulation factor XII 1511.586667 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971620 252616347 ZINC00611509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75660 CC(NC(=O)c1c(C)noc1C)c1ccc2OCOc2c1 InChI=1S/C15H16N2O4/c1-8(11-4-5-12-13(6-11)20-7-19-12)16-15(18)14-9(2)17-21-10(14)3/h4-6,8H,7H2,1-3H3,(H,16,18) HGMMLVXDYWALMS-UHFFFAOYSA-N 40386 MLS000065916::N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide::N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,5-dimethyl-4-isoxazolecarboxamide::N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,5-dimethyl-isoxazole-4-carboxamide::SMR000080639::cid_2971164 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40386&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2971164 252621211 ZINC01055456 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75661 Nc1nc(nn1C(=O)c1cccnc1)-c1ccc(Cl)cc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)12-18-14(16)20(19-12)13(21)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) KDIAEHHBYNODDR-UHFFFAOYSA-N 33585 3-(4-chlorophenyl)-1-(3-pyridinylcarbonyl)-1H-1,2,4-triazol-5-amine::MLS000064530::SMR000077097::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone::cid_971718 Coagulation factor XII 5553.216667 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33585&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971718 252616490 ZINC00611632 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75662 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)S(C)(=O)=O)cc1 InChI=1S/C19H23N5O4S/c1-27-16-8-4-14(5-9-16)12-20-18-22-19(24(23-18)29(3,25)26)21-13-15-6-10-17(28-2)11-7-15/h4-11H,12-13H2,1-3H3,(H2,20,21,22,23) DYRWMCVXDPUZNP-UHFFFAOYSA-N 40387 3-N,5-N-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine::MLS000052778::N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine::N3,N5-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine::SMR000082591::[1-mesyl-5-(p-anisylamino)-1,2,4-triazol-3-yl]-p-anisyl-amine::cid_1258480 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40387&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1258480 252621212 ZINC01069994 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75663 Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12 InChI=1S/C17H18N2O2/c1-11-15-13(9-17(2,3)10-14(15)20)19(18-11)16(21)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3 CEUZPNLOWRYWGA-UHFFFAOYSA-N 32794 1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one::1-benzoyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one::3,6,6-trimethyl-1-(phenylcarbonyl)-5,7-dihydroindazol-4-one::MLS000060946::SMR000069174::cid_749826 Coagulation factor XII 2991.11 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32794&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 749826 252615930 ZINC00197530 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75664 O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1 InChI=1S/C21H20N2O5S/c24-21(20-7-4-16-27-20)22-12-14-23(15-13-22)29(25,26)19-10-8-18(9-11-19)28-17-5-2-1-3-6-17/h1-11,16H,12-15H2 JSRJHJSVFGCCLW-UHFFFAOYSA-N 40388 1-(2-furoyl)-4-[(4-phenoxyphenyl)sulfonyl]piperazine::2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone::2-furyl-[4-(4-phenoxyphenyl)sulfonylpiperazino]methanone::MLS000063397::SMR000072678::cid_1281358::furan-2-yl-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]methanone Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40388&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1281358 252621213 ZINC01100390 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75665 Cc1ccc(cc1C)C(=O)n1cnnc1N InChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) NLGIEPHLRWKDDF-UHFFFAOYSA-N 32795 (3-amino-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063159::SMR000072096::cid_887464 Coagulation factor XII 2982.886667 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32795&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 887464 252615931 ZINC00460933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75666 Nc1nc(nn1C(=O)c1ccco1)-c1cccnc1 InChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16) LCKQEPFCQQJQSU-UHFFFAOYSA-N 33441 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::1-(2-furoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000064561::SMR000077158::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-furanyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone::cid_971909 Coagulation factor XII 12529.52 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971909 252616349 ZINC00611874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75667 OC(=O)C1CCCCC1C(=O)NCCc1ccccc1 InChI=1S/C16H21NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20) ZVGKSRYCAMAYDG-UHFFFAOYSA-N 40389 2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid::2-(phenethylcarbamoyl)cyclohexanecarboxylic acid::2-[oxo-(2-phenylethylamino)methyl]-1-cyclohexanecarboxylic acid::2-{[(2-phenylethyl)amino]carbonyl}cyclohexanecarboxylic acid::MLS000058876::SMR000069445::cid_2841922 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40389&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2841922 252621214 ZINC00299808 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75668 COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1 InChI=1S/C22H23N3O3/c1-16-20(21(23-28-16)17-6-4-3-5-7-17)22(26)25-14-12-24(13-15-25)18-8-10-19(27-2)11-9-18/h3-11H,12-15H2,1-2H3 QOEOKUAZHXOIRZ-UHFFFAOYSA-N 40390 MLS000115020::SMR000092276::[4-(4-methoxyphenyl)-1-piperazinyl]-(5-methyl-3-phenyl-4-isoxazolyl)methanone::[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone::[4-(4-methoxyphenyl)piperazino]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone::cid_1094864 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40390&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1094864 252621215 ZINC00816382 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75669 CCOC(=O)N1CCN(CC1)C(=O)C1CC(=NO1)c1ccc(F)cc1 InChI=1S/C17H20FN3O4/c1-2-24-17(23)21-9-7-20(8-10-21)16(22)15-11-14(19-25-15)12-3-5-13(18)6-4-12/h3-6,15H,2,7-11H2,1H3 NCNSSDSKVSYSAV-UHFFFAOYSA-N 40391 4-[3-(4-fluorophenyl)-2-isoxazoline-5-carbonyl]piperazine-1-carboxylic acid ethyl ester::4-[[3-(4-fluorophenyl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester::MLS000118508::SMR000095449::cid_5308699::ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate::ethyl 4-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]piperazine-1-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40391&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5308699 252621216 ZINC05030003 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75670 CC(C)OCCOC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C InChI=1S/C17H25NO4/c1-10(2)21-6-7-22-16(20)15-11(3)14-12(18-15)8-17(4,5)9-13(14)19/h10,18H,6-9H2,1-5H3 RFLQEZYPIYOZPU-UHFFFAOYSA-N 40392 2-propan-2-yloxyethyl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxylate::2-propan-2-yloxyethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate::3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid 2-propan-2-yloxyethyl ester::4-keto-3,6,6-trimethyl-5,7-dihydro-1H-indole-2-carboxylic acid 2-isopropoxyethyl ester::MLS000116523::SMR000093493::cid_3162310 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40392&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3162310 252621217 ZINC04488733 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75671 CCCSc1nnc(-c2c[nH]c3ccccc23)n1C InChI=1S/C14H16N4S/c1-3-8-19-14-17-16-13(18(14)2)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,3,8H2,1-2H3 GJOMJSKCSPNLCE-UHFFFAOYSA-N 40393 (3Z)-3-(4-methyl-3-propylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole::(3Z)-3-[4-methyl-3-(propylthio)-1H-1,2,4-triazol-5-ylidene]indole::MLS000102147::SMR000017277::cid_5310405 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40393&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5310405 252621218 ZINC18206195 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75672 COCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc12 InChI=1S/C15H17N5O2S/c1-22-7-6-20-14(18-19-15(20)23-9-13(16)21)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,17H,6-7,9H2,1H3,(H2,16,21) GTYJDMMHABNCGD-UHFFFAOYSA-N 40394 2-[[(5Z)-5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide::2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide::2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide::2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide::MLS000102175::SMR000017300::cid_5310458 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40394&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5310458 252621219 ZINC18153419 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75673 CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O InChI=1S/C18H18N2O3/c1-11(2)18(22)20-16(14-6-4-10-23-14)13-8-7-12-5-3-9-19-15(12)17(13)21/h3-11,16,21H,1-2H3,(H,20,22) PBZYAPZLINAHET-UHFFFAOYSA-N 40395 MLS000108814::N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide::N-[2-furyl-(8-hydroxy-7-quinolyl)methyl]-2-methyl-propionamide::N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide::N-[furan-2-yl-(8-oxidanylquinolin-7-yl)methyl]-2-methyl-propanamide::SMR000104764::cid_2876959 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40395&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2876959 252621220 ZINC00446434 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75674 COc1cccc(OCC(=O)Nc2cc(OC)cc(OC)c2)c1 InChI=1S/C17H19NO5/c1-20-13-5-4-6-14(9-13)23-11-17(19)18-12-7-15(21-2)10-16(8-12)22-3/h4-10H,11H2,1-3H3,(H,18,19) PXXBLQJTYZEZCN-UHFFFAOYSA-N 40396 MLS000107929::N-(3,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide::N-(3,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)ethanamide::SMR000103893::cid_868164 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40396&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 868164 252621221 ZINC00433002 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75675 CC1=NC(C)=C(C(C1C(=O)OCC=C)c1ccc(O)cc1)C(=O)OCC=C InChI=1S/C21H23NO5/c1-5-11-26-20(24)17-13(3)22-14(4)18(21(25)27-12-6-2)19(17)15-7-9-16(23)10-8-15/h5-10,17,19,23H,1-2,11-12H2,3-4H3 BKTHXPJDHUQGPT-UHFFFAOYSA-N 40397 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(prop-2-enyl) ester::4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diallyl ester::MLS000111727::SMR000107649::bis(prop-2-enyl) 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate::cid_3139744 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40397&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 78484981 252621222 ZINC19898691 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75676 Clc1ccc(NC(=O)N2CCC=CC2)cc1Cl InChI=1S/C12H12Cl2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h1-2,4-5,8H,3,6-7H2,(H,15,17) FBGGOVMWWLQSIM-UHFFFAOYSA-N 40398 MLS000104726::N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide::SMR000054659::cid_796891 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40398&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 796891 252621223 ZINC00301357 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75677 OC(=O)COc1ccc2OCCOc2c1 InChI=1S/C10H10O5/c11-10(12)6-15-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12) HHBVMFFBGUGQMO-UHFFFAOYSA-N 40399 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetic acid::2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethanoic acid::MLS000113536::SMR000109434::cid_3132402 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40399&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3132402 252621224 ZINC04039441 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 75678 COc1ccc(cc1)C(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12 InChI=1S/C22H23NO5/c1-14-20(22(25)15-3-5-16(26-2)6-4-15)21-17(13-23-9-11-27-12-10-23)18(24)7-8-19(21)28-14/h3-8,24H,9-13H2,1-2H3 PHQWMFMQIDLFFL-UHFFFAOYSA-N 40400 (4-methoxyphenyl)-[2-methyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone::MLS000105462::SMR000102343::[5-hydroxy-2-methyl-4-(4-morpholinylmethyl)-3-benzofuranyl]-(4-methoxyphenyl)methanone::[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone::[5-hydroxy-2-methyl-4-(morpholinomethyl)benzofuran-3-yl]-(4-methoxyphenyl)methanone::cid_1377475 Coagulation factor XII >50000 PubChem 10.7270/Q2BC3WZZ aid716 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40400&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1377475 252621225 ZINC22779736 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84067 NC(=O)c1c(N)sc2CCCc12 InChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11) CIYGFKXNRTYHLB-UHFFFAOYSA-N 45627 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide::2-azanyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide::MLS000677312::SMR000286130::cid_596881 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45627&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 596881 252626223 ZINC37858640 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84068 CN1CCN(CC1)c1ncnc(Cl)c1N InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)9-7(11)8(10)12-6-13-9/h6H,2-5,11H2,1H3 YFUZRBRRNUSCQO-UHFFFAOYSA-N 45628 4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine::4-chloro-6-(4-methyl-1-piperazinyl)-5-pyrimidinamine::4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine::MLS000709852::SMR000287015::[4-chloro-6-(4-methylpiperazino)pyrimidin-5-yl]amine::cid_1085197 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45628&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1085197 252626224 ZINC00802037 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84069 CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccc2OCOc2c1 InChI=1S/C18H19NO5S/c1-11(2)16(24-18(21)15-4-3-7-25-15)17(20)19-9-12-5-6-13-14(8-12)23-10-22-13/h3-8,11,16H,9-10H2,1-2H3,(H,19,20) FCUMDOBUJVHWIM-UHFFFAOYSA-N 45629 2-thiophenecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] ester::MLS000709848::SMR000287011::[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl] thiophene-2-carboxylate::[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate::cid_3220269::thiophene-2-carboxylic acid [2-methyl-1-(piperonylcarbamoyl)propyl] ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45629&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3220269 252626225 ZINC01381127 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84070 Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1 InChI=1S/C20H25ClN2/c21-20-11-5-4-10-19(20)17-23-15-13-22(14-16-23)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2 FBMFTEOUAOEHTL-UHFFFAOYSA-N 45630 1-(2-chlorobenzyl)-4-(3-phenylpropyl)piperazine::1-[(2-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine::MLS000681412::SMR000267797::cid_742594 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45630&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 742594 252626226 ZINC19788052 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84071 OC(=O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1 InChI=1S/C19H15N3O7/c23-16(20-12-3-1-11(2-4-12)9-17(24)25)7-8-21-18(26)14-6-5-13(22(28)29)10-15(14)19(21)27/h1-6,10H,7-9H2,(H,20,23)(H,24,25) YADQMOCGCHWYFL-UHFFFAOYSA-N 45631 (4-{[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}phenyl)acetic acid::2-[4-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]phenyl]acetic acid::2-[4-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetic acid::2-[4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]ethanoic acid::2-[4-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]acetic acid::MLS000862527::SMR000300567::cid_1262374 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45631&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1262374 252626227 C03768 ZINC05049147 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84072 CCCC(C)NC(=O)Cc1ccccc1 InChI=1S/C13H19NO/c1-3-7-11(2)14-13(15)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,14,15) USEXPDQDHPXYDI-UHFFFAOYSA-N 45632 MLS000684855::N-(1-methylbutyl)-2-phenyl-acetamide::N-(1-methylbutyl)-2-phenylacetamide::N-pentan-2-yl-2-phenyl-ethanamide::N-pentan-2-yl-2-phenylacetamide::SMR000268315::cid_2886843 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45632&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2886843 252626228 ZINC00030352 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84073 Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12 InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3 WVAYNWNBGPUATF-UHFFFAOYSA-N 32909 (4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate::(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate::2-furancarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester::MLS000712758::SMR000282525::US11584714, Compound 12#::cid_728528::furan-2-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32909&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 728528 252616043 ZINC00139058 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84074 CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN1CCOCC1 InChI=1S/C26H36N4O4S/c1-4-33-23-18-22(29-26(35)27-11-6-12-30-13-15-32-16-14-30)24(34-5-2)17-21(23)28-25(31)20-9-7-19(3)8-10-20/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,28,31)(H2,27,29,35) HAQGYKSEKAHDRK-UHFFFAOYSA-N 45633 MLS000712754::N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-4-methyl-benzamide::N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-4-methylbenzamide::N-[2,5-diethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]-4-methyl-benzamide::N-[2,5-diethoxy-4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamide::SMR000282521::cid_3170820 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45633&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3170820 252626229 ZINC13556545 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84075 CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1 InChI=1S/C14H16N4O3S2/c1-8(2)21-12(20)9-4-3-5-10(6-9)16-11(19)7-22-14-18-17-13(15)23-14/h3-6,8H,7H2,1-2H3,(H2,15,17)(H,16,19) KAVLQPKLORUJNG-UHFFFAOYSA-N 45634 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester::3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester::MLS000707286::SMR000288751::cid_599970::propan-2-yl 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate::propan-2-yl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45634&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 599970 252626230 ZINC02190514 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84076 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1cccnc1 InChI=1S/C22H19N3O3/c26-19(24-14-15-5-3-11-23-13-15)10-4-12-25-21(27)17-8-1-6-16-7-2-9-18(20(16)17)22(25)28/h1-3,5-9,11,13H,4,10,12,14H2,(H,24,26) CWPZSHSISUCXSC-UHFFFAOYSA-N 45635 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(3-pyridylmethyl)butyramide::4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(3-pyridinylmethyl)butanamide::4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)butanamide::4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(pyridin-3-ylmethyl)butanamide::MLS000707305::SMR000288770::cid_2851703 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45635&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2851703 252626231 ZINC04058835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84077 Nc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1 InChI=1S/C13H9ClN4O2/c14-9-5-2-1-4-8(9)12(19)18-13(15)16-11(17-18)10-6-3-7-20-10/h1-7H,(H2,15,16,17) JARMYDUXNQNRAF-UHFFFAOYSA-N 33856 MLS000708243::SMR000287710::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::cid_828593 Coagulation factor XII 237.79 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33856&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828593 252616754 ZINC00350107 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84078 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18) IBVNBVQKMBGFOA-UHFFFAOYSA-N 33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825 Coagulation factor XII 23.623333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969825 252616755 ZINC00608934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84079 Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1 InChI=1S/C13H9FN4O2/c14-9-5-3-8(4-6-9)12(19)18-13(15)16-11(17-18)10-2-1-7-20-10/h1-7H,(H2,15,16,17) QOEJNDOIEPTHBU-UHFFFAOYSA-N 45636 MLS000708241::SMR000287708::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::cid_828589 Coagulation factor XII 236.593333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45636&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828589 252626232 ZINC00350103 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84080 CC(=O)NNC(=S)NC(=O)c1ccccc1 InChI=1S/C10H11N3O2S/c1-7(14)12-13-10(16)11-9(15)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,14)(H2,11,13,15,16) ISZGNMGBRFLINK-UHFFFAOYSA-N 33859 MLS000712854::N-(acetamidocarbamothioyl)benzamide::N-(acetamidothiocarbamoyl)benzamide::N-[(acetylhydrazo)-sulfanylidenemethyl]benzamide::SMR000282621::cid_1728349 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33859&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1728349 252616757 ZINC02064526 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84081 COC(=O)c1ccc(cc1)C(N(CCN1CCOCC1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1 InChI=1S/C28H37N3O5S/c1-35-28(34)22-11-9-21(10-12-22)26(27(33)29-23-6-3-2-4-7-23)31(14-13-30-15-17-36-18-16-30)25(32)20-24-8-5-19-37-24/h5,8-12,19,23,26H,2-4,6-7,13-18,20H2,1H3,(H,29,33) KGOLMXAQOJWMBK-UHFFFAOYSA-N 45637 4-[2-(cyclohexylamino)-1-[2-(4-morpholinyl)ethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzoic acid methyl ester::4-[2-(cyclohexylamino)-2-keto-1-[2-morpholinoethyl-[2-(2-thienyl)acetyl]amino]ethyl]benzoic acid methyl ester::MLS000718175::SMR000279943::cid_3191170::methyl 4-[2-(cyclohexylamino)-1-[2-morpholin-4-ylethyl(2-thiophen-2-ylethanoyl)amino]-2-oxidanylidene-ethyl]benzoate::methyl 4-[2-(cyclohexylamino)-1-[2-morpholin-4-ylethyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45637&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3191170 252626233 ZINC20097891 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84082 CS(=O)(=O)c1nnc([nH]1)-c1ccc(Br)cc1 InChI=1S/C9H8BrN3O2S/c1-16(14,15)9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13) CCQNHHHQXYOSMJ-UHFFFAOYSA-N 45638 3-(4-bromophenyl)-5-mesyl-1H-1,2,4-triazole::3-(4-bromophenyl)-5-methylsulfonyl-1H-1,2,4-triazole::MLS000718205::SMR000279973::cid_726126 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45638&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 726126 252626234 ZINC00268636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84083 CN(N=Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1 InChI=1S/C20H25N7O4/c1-25(21-13-15-2-3-16-17(12-15)31-14-30-16)18-22-19(26-4-8-28-9-5-26)24-20(23-18)27-6-10-29-11-7-27/h2-3,12-13H,4-11,14H2,1H3 HCPGMEYSYAMBNF-UHFFFAOYSA-N 45639 (4,6-dimorpholino-s-triazin-2-yl)-methyl-(piperonylideneamino)amine::MLS000718171::N-(1,3-benzodioxol-5-ylmethylideneamino)-N-methyl-4,6-bis(4-morpholinyl)-1,3,5-triazin-2-amine::N-(1,3-benzodioxol-5-ylmethylideneamino)-N-methyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine::SMR000279939::cid_3135115 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45639&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9594639 252626235 ZINC13151576 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84084 CN(C)c1ccc(cc1)C(=O)NN1C(=O)c2ccccc2C1=O InChI=1S/C17H15N3O3/c1-19(2)12-9-7-11(8-10-12)15(21)18-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-10H,1-2H3,(H,18,21) XLSZVXKBJCLWJZ-UHFFFAOYSA-N 45640 4-(dimethylamino)-N-(1,3-dioxo-2-isoindolyl)benzamide::4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide::4-(dimethylamino)-N-phthalimido-benzamide::MLS000718161::N-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(dimethylamino)benzamide::SMR000279929::cid_820980 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45640&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 820980 252626236 ZINC00337620 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84085 CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1 InChI=1S/C18H20N2O5/c1-2-3-10-25-18(23)13-6-8-14(9-7-13)20-17(22)16(21)19-12-15-5-4-11-24-15/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)(H,20,22) CFKQZBSQNFEMQQ-UHFFFAOYSA-N 45641 4-[[2-(2-furanylmethylamino)-1,2-dioxoethyl]amino]benzoic acid butyl ester::4-[[2-(2-furfurylamino)-2-keto-acetyl]amino]benzoic acid butyl ester::MLS000718182::SMR000279950::butyl 4-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate::butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate::cid_1903239 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45641&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1903239 252626237 ZINC02278772 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84086 [O-][N+](=O)c1cc(ccc1Cl)C(=O)O[N-]C(=[NH2+])c1ccccn1 InChI=1S/C13H8ClN4O4/c14-9-5-4-8(7-11(9)18(20)21)13(19)22-17-12(15)10-3-1-2-6-16-10/h1-7H,(H-,15,17)/q-1/p+1 YZJKCXZLWUYDQF-UHFFFAOYSA-O 45642 4-chloro-3-nitro-benzoic acid [[amino(2-pyridyl)methylene]amino] ester::4-chloro-3-nitrobenzoic acid [[amino(2-pyridinyl)methylidene]amino] ester::MLS000718214::SMR000279982::[[amino(pyridin-2-yl)methylidene]amino] 4-chloro-3-nitrobenzoate::[[azanyl(pyridin-2-yl)methylidene]amino] 4-chloranyl-3-nitro-benzoate::cid_3130063 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45642&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5346357 252626238 ZINC13151650 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84087 COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1 InChI=1S/C16H18N2O4/c1-11-8-13(18(19)20)4-6-15(11)17-10-12-9-14(21-2)5-7-16(12)22-3/h4-9,17H,10H2,1-3H3 QITGCGNZEURVBM-UHFFFAOYSA-N 45643 (2,5-dimethoxybenzyl)-(2-methyl-4-nitro-phenyl)amine::MLS000718209::N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline::N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline::SMR000279977::cid_2852237 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45643&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2852237 252626239 ZINC04309391 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84088 CC1CCOC2(O1)C(=O)Nc1ccccc21 InChI=1S/C12H13NO3/c1-8-6-7-15-12(16-8)9-4-2-3-5-10(9)13-11(12)14/h2-5,8H,6-7H2,1H3,(H,13,14) CABHZQQZJZDWNZ-UHFFFAOYSA-N 45644 4-methyl-2'-spiro[1,3-dioxane-2,3'-1H-indole]one::4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one::4-methylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one::4-methylspiro[1,3-dioxane-2,3'-indoline]-2'-one::MLS000728699::SMR000306978::cid_2921040 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45644&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2921040 252626240 ZINC04125505 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84089 Fc1ccccc1CN(Cc1ccccc1)C(=S)NCC(=O)NCCc1ccccc1 InChI=1S/C25H26FN3OS/c26-23-14-8-7-13-22(23)19-29(18-21-11-5-2-6-12-21)25(31)28-17-24(30)27-16-15-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,27,30)(H,28,31) ITQXCPNPSZOQHN-UHFFFAOYSA-N 45645 2-[[(2-fluorophenyl)methyl-(phenylmethyl)carbamothioyl]amino]-N-(2-phenylethyl)ethanamide::2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-(2-phenylethyl)acetamide::2-[[benzyl-(2-fluorobenzyl)thiocarbamoyl]amino]-N-phenethyl-acetamide::2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]-N-(2-phenylethyl)acetamide::MLS000674016::N~2~-{[benzyl(2-fluorobenzyl)amino]carbonothioyl}-N~1~-(2-phenylethyl)glycinamide::SMR000311294::cid_4985031 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45645&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4985031 252626241 ZINC13520980 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84090 COc1ccc(CCNC(=O)CCn2c(=O)n(CC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1OC InChI=1S/C28H34N4O7/c1-37-23-10-9-19(16-24(23)38-2)11-13-29-25(33)12-14-31-27(35)21-7-3-4-8-22(21)32(28(31)36)18-26(34)30-17-20-6-5-15-39-20/h3-4,7-10,16,20H,5-6,11-15,17-18H2,1-2H3,(H,29,33)(H,30,34) YTTBYIGPMXFNNH-UHFFFAOYSA-N 45646 3-[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide::3-[2,4-diketo-1-[2-keto-2-(tetrahydrofurfurylamino)ethyl]quinazolin-3-yl]-N-homoveratryl-propionamide::MLS000730447::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-3-quinazolinyl]propanamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]quinazolin-3-yl]propanamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]propanamide::SMR000308723::cid_16193496 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45646&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16193496 252626242 ZINC17434283 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84091 Clc1c2CCCCc2nc2cc(ccc12)C(=O)NCCCN1CCCC1 InChI=1S/C21H26ClN3O/c22-20-16-6-1-2-7-18(16)24-19-14-15(8-9-17(19)20)21(26)23-10-5-13-25-11-3-4-12-25/h8-9,14H,1-7,10-13H2,(H,23,26) NDVNRMFVHPDGAY-UHFFFAOYSA-N 45647 9-chloranyl-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide::9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide::9-chloro-N-(3-pyrrolidinopropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide::9-chloro-N-[3-(1-pyrrolidinyl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide::MLS000731302::SMR000309577::cid_6619646 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45647&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6619646 252626243 ZINC04958440 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84092 CCOc1ccc(cc1)N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O InChI=1S/C23H26N4O6S/c1-5-33-18-10-8-17(9-11-18)27(13-20(28)25-19-12-14(2)6-7-15(19)3)34(31,32)21-16(4)24-23(30)26-22(21)29/h6-12H,5,13H2,1-4H3,(H,25,28)(H2,24,26,29,30) MWMBIUUYBQWKJX-UHFFFAOYSA-N 45648 2-[N-[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonyl]-4-ethoxy-anilino]-N-(2,5-dimethylphenyl)acetamide::MLS000674720::N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)-[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonyl]amino]ethanamide::N-(2,5-dimethylphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide::N~1~-(2,5-dimethylphenyl)-N~2~-(4-ethoxyphenyl)-N~2~-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]glycinamide::SMR000314161::cid_16008186 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45648&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16008186 252626244 ZINC08598066 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84093 O=C1N=C(Nc2ccccc2)SC1=Cc1cccs1 InChI=1S/C14H10N2OS2/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17) IJDVDZUKMOBGCV-UHFFFAOYSA-N 45649 (5E)-2-anilino-5-(2-thenylidene)-2-thiazolin-4-one::(5E)-2-anilino-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one::(5E)-2-anilino-5-(thiophen-2-ylmethylidene)-4-thiazolone::(5E)-2-phenylazanyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one::MLS000419485::SMR000320211::cid_1605476 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45649&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1605476 252626245 ZINC18996615 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84094 Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 InChI=1S/C22H22FN5O4S2/c1-2-9-28-19-8-7-15(34(30,31)27-10-12-32-13-11-27)14-16(19)20(21(28)29)25-26-22(33)24-18-6-4-3-5-17(18)23/h2-8,14H,1,9-13H2,(H2,24,26,33) REWYLEITUFMHNR-UHFFFAOYSA-N 45650 (3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 3-[N-(2-fluorophenyl)thiosemicarbazone]::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-[5-(4-morpholinylsulfonyl)-2-oxo-1-prop-2-enyl-3-indolylidene]amino]thiourea::1-[(Z)-(1-allyl-2-keto-5-morpholinosulfonyl-indolin-3-ylidene)amino]-3-(2-fluorophenyl)thiourea::MLS000673604::SMR000314845::cid_16194608 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45650&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16194608 252626246 ZINC13520651 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84095 COc1ccc(\C=C\C(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1OC InChI=1S/C17H16N2O7/c1-10-8-14(16(19(22)23)17(21)18-10)26-15(20)7-5-11-4-6-12(24-2)13(9-11)25-3/h4-9H,1-3H3,(H,18,21)/b7-5+ MGGHACFNPQGVFS-FNORWQNLSA-N 45651 (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate::(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate::(E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester::(E)-3-(3,4-dimethoxyphenyl)acrylic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester::MLS000685020::SMR000324736::cid_7150694 Coagulation factor XII 49.483333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45651&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7150694 252626247 ZINC13543839 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84096 CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O InChI=1S/C16H26N2O3S/c1-3-12-15(20)18(16(21)13(4-2)22-12)10-14(19)17-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3,(H,17,19) UWJPTIIJIIPTCE-UHFFFAOYSA-N 45652 MLS000624256::N-cyclohexyl-2-(2,6-diethyl-3,5-diketo-thiomorpholin-4-yl)acetamide::N-cyclohexyl-2-(2,6-diethyl-3,5-dioxo-4-thiomorpholinyl)acetamide::N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide::N-cyclohexyl-2-[2,6-diethyl-3,5-bis(oxidanylidene)thiomorpholin-4-yl]ethanamide::SMR000323553::cid_3522024 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45652&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3522024 252626248 ZINC13144511 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84097 Clc1ncc(COc2ccc(C=NNC(=O)c3ccncc3)cc2)s1 InChI=1S/C17H13ClN4O2S/c18-17-20-10-15(25-17)11-24-14-3-1-12(2-4-14)9-21-22-16(23)13-5-7-19-8-6-13/h1-10H,11H2,(H,22,23) UGCVCPZPXFXGRD-UHFFFAOYSA-N 33875 MLS000721713::N'-((E)-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methylidene)isonicotinohydrazide::N-[[4-[(2-chloranyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide::N-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide::N-[[4-[(2-chloro-5-thiazolyl)methoxy]phenyl]methylideneamino]-4-pyridinecarboxamide::N-[[4-[(2-chlorothiazol-5-yl)methoxy]benzylidene]amino]isonicotinamide::SMR000335190::cid_1490875 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33875&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9560039 252616773 ZINC33337301 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84098 COc1ccc(C=C(C#N)c2nnc(Cn3cncn3)[nH]2)cc1 InChI=1S/C15H13N7O/c1-23-13-4-2-11(3-5-13)6-12(7-16)15-19-14(20-21-15)8-22-10-17-9-18-22/h2-6,9-10H,8H2,1H3,(H,19,20,21) YTVKCLLZBWSTTL-UHFFFAOYSA-N 45653 (E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-2-propenenitrile::(E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile::(E)-3-(4-methoxyphenyl)-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]prop-2-enenitrile::3-(4-methoxyphenyl)-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acrylonitrile::MLS000696144::SMR000333495::cid_5707907 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45653&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5707907 252626249 ZINC04051589 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84099 COCCNCC(=O)Nc1nc(C)cs1 InChI=1S/C9H15N3O2S/c1-7-6-15-9(11-7)12-8(13)5-10-3-4-14-2/h6,10H,3-5H2,1-2H3,(H,11,12,13) ARJMDCCNPUTRSU-UHFFFAOYSA-N 32921 2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;oxalic acid::2-(2-methoxyethylamino)-N-(4-methyl-2-thiazolyl)acetamide;oxalic acid::2-(2-methoxyethylamino)-N-(4-methylthiazol-2-yl)acetamide;oxalic acid::MLS000717720::SMR000287473::cid_16195095::ethanedioic acid;2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32921&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3229599 252616055 ZINC04969251 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84100 Brc1cccc(CN=Nc2nnn[nH]2)c1 InChI=1S/C8H7BrN6/c9-7-3-1-2-6(4-7)5-10-11-8-12-14-15-13-8/h1-4H,5H2,(H,12,13,14,15) CZUCEPOYFZUVCI-UHFFFAOYSA-N 32923 MLS000856347::N-[(3-bromophenyl)methylideneamino]-2H-1,2,3,4-tetrazol-5-amine::N-[(3-bromophenyl)methylideneamino]-2H-tetrazol-5-amine::SMR000279292::[(3-bromobenzylidene)amino]-(2H-tetrazol-5-yl)amine::cid_3113942 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32923&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896162 252616057 ZINC33922142 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84101 [O-][N+](=O)c1cncc(c1Nc1ccccc1Cl)[N+]([O-])=O InChI=1S/C11H7ClN4O4/c12-7-3-1-2-4-8(7)14-11-9(15(17)18)5-13-6-10(11)16(19)20/h1-6H,(H,13,14) SYDNVZOSGOWCBQ-UHFFFAOYSA-N 45654 (2-chlorophenyl)-(3,5-dinitro-4-pyridyl)amine::MLS000693180::N-(2-chlorophenyl)-3,5-dinitro-4-pyridinamine::N-(2-chlorophenyl)-3,5-dinitro-pyridin-4-amine::N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine::SMR000284615::cid_3097923 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45654&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3097923 252626250 ZINC04409481 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84102 Cc1nc2cc(NC(=O)N(CC=C)c3ccccc3)ccc2n1C InChI=1S/C19H20N4O/c1-4-12-23(16-8-6-5-7-9-16)19(24)21-15-10-11-18-17(13-15)20-14(2)22(18)3/h4-11,13H,1,12H2,2-3H3,(H,21,24) JQJPQKOORJUPQE-UHFFFAOYSA-N 33879 1-allyl-3-(1,2-dimethylbenzimidazol-5-yl)-1-phenyl-urea::3-(1,2-dimethyl-5-benzimidazolyl)-1-phenyl-1-prop-2-enylurea::3-(1,2-dimethylbenzimidazol-5-yl)-1-phenyl-1-prop-2-enyl-urea::3-(1,2-dimethylbenzimidazol-5-yl)-1-phenyl-1-prop-2-enylurea::MLS000708493::SMR000287960::cid_893311 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33879&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 893311 252616777 ZINC00469742 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84103 Nn1c(nc2ccccc2c1=O)C1CCCCC1 InChI=1S/C14H17N3O/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h4-5,8-10H,1-3,6-7,15H2 UTXWCFSTRZXNQG-UHFFFAOYSA-N 32929 3-amino-2-cyclohexyl-4-quinazolinone::3-amino-2-cyclohexyl-quinazolin-4-one::3-amino-2-cyclohexylquinazolin-4-one::3-azanyl-2-cyclohexyl-quinazolin-4-one::MLS000708503::SMR000287970::cid_1095833 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32929&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1095833 252616063 ZINC00818218 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84104 CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)c(cc2[nH]1)[N+]([O-])=O InChI=1S/C15H11ClN4O3/c1-8(21)17-10-4-2-9(3-5-10)15-18-12-6-11(16)14(20(22)23)7-13(12)19-15/h2-7H,1H3,(H,17,21)(H,18,19) QGFAAZRVTUPHHG-UHFFFAOYSA-N 32930 MLS000708452::N-[4-(6-chloranyl-5-nitro-1H-benzimidazol-2-yl)phenyl]ethanamide::N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamide::SMR000287919::cid_3147178 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32930&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3147178 252616064 ZINC06014816 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84105 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) ZAFULIRXGRRKIP-UHFFFAOYSA-N 33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438 Coagulation factor XII 327.226667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5000438 252616780 ZINC04682023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84106 COc1ccc(CN2CCN(CC2)C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)c(OC)c1OC InChI=1S/C28H39N3O6S/c1-35-25-14-13-23(26(36-2)27(25)37-3)20-30-15-17-31(18-16-30)28(32)22-11-9-21(10-12-22)19-29-38(33,34)24-7-5-4-6-8-24/h4-8,13-14,21-22,29H,9-12,15-20H2,1-3H3 OFDIYFROUNQZTR-UHFFFAOYSA-N 45655 MLS000682501::N-[(4-{[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]benzenesulfonamide::N-[[4-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzenesulfonamide::N-[[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonylcyclohexyl]methyl]benzenesulfonamide::N-[[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]cyclohexyl]methyl]benzenesulfonamide::N-[[4-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]cyclohexyl]methyl]benzenesulfonamide::SMR000314982::cid_16195571 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45655&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16195571 252626251 ZINC17357231 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84107 CC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1 InChI=1S/C18H17N3O3S/c1-12(22)19-13-6-8-14(9-7-13)20-17(23)10-11-21-15-4-2-3-5-16(15)24-18(21)25/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23) FJVWTPDPZFNFCK-UHFFFAOYSA-N 45656 MLS000682766::N-(4-acetamidophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide::N-(4-acetamidophenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide::N-[4-(acetylamino)phenyl]-3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanamide::SMR000312123::cid_4282311 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45656&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4282311 252626252 ZINC02940120 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84108 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1 InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37) RJWIXZYMUAWTFI-UHFFFAOYSA-N 45657 MLS000682486::N-[2-[benzyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide::N-[2-[benzyl(methyl)amino]ethyl]-6-(4-methylpiperidino)sulfonyl-2-(2-pyridyl)cinchoninamide::N-[2-[methyl-(phenylmethyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxamide::N-[2-[methyl-(phenylmethyl)amino]ethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxamide::N-{2-[benzyl(methyl)amino]ethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-pyridin-2-ylquinoline-4-carboxamide::SMR000314967::cid_16195594 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45657&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16195594 252626253 ZINC17357227 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84109 O=C(Nc1nc2cc3OCOc3cc2s1)c1ccco1 InChI=1S/C13H8N2O4S/c16-12(8-2-1-3-17-8)15-13-14-7-4-9-10(19-6-18-9)5-11(7)20-13/h1-5H,6H2,(H,14,15,16) GLLWHIMOHBWLKF-UHFFFAOYSA-N 32934 MLS000419584::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-furamide::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-furancarboxamide::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide::SMR000320301::cid_7202802 Coagulation factor XII 454.613333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32934&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7202802 252616068 ZINC04348396 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84110 CCC(C)NC(=O)CSc1ncnc2sccc12 InChI=1S/C12H15N3OS2/c1-3-8(2)15-10(16)6-18-12-9-4-5-17-11(9)13-7-14-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16) GTEPFRJJZWRKPE-UHFFFAOYSA-N 45658 MLS000517437::N-butan-2-yl-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide::N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide::N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide::N-sec-butyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide::SMR000343469::cid_3385586 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45658&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3385586 252626254 ZINC02616262 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84111 COc1ccc(cc1OC)-c1cc(C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1 InChI=1S/C24H22N4O5/c1-27-22(25)20(23(30)28(2)24(27)31)21(29)15-12-17(26-16-8-6-5-7-14(15)16)13-9-10-18(32-3)19(11-13)33-4/h5-12H,25H2,1-4H3 SNMNCBYJIUGYCB-UHFFFAOYSA-N 45659 6-amino-5-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]-1,3-dimethyl-pyrimidine-2,4-quinone::6-amino-5-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]-1,3-dimethylpyrimidine-2,4-dione::6-amino-5-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]-1,3-dimethylpyrimidine-2,4-dione::6-azanyl-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonyl-1,3-dimethyl-pyrimidine-2,4-dione::MLS001004228::SMR000347866::cid_2359062 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45659&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2359062 252626255 ZINC03241605 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84112 Cc1nc(SCc2ccccc2)c2ccsc2n1 InChI=1S/C14H12N2S2/c1-10-15-13-12(7-8-17-13)14(16-10)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 WFBDESOGXYBSLU-UHFFFAOYSA-N 45660 2-methyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine::2-methyl-4-(phenylmethylthio)thieno[2,3-d]pyrimidine::4-(benzylthio)-2-methyl-thieno[2,3-d]pyrimidine::4-benzylsulfanyl-2-methylthieno[2,3-d]pyrimidine::MLS001006713::SMR000349621::cid_1536661 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45660&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1536661 252626256 ZINC01465326 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84113 CCC(=NNC(=S)NC(C)C)c1ccc(OC(F)F)cc1 InChI=1S/C14H19F2N3OS/c1-4-12(18-19-14(21)17-9(2)3)10-5-7-11(8-6-10)20-13(15)16/h5-9,13H,4H2,1-3H3,(H2,17,19,21) FCTKOTRLVISSNK-UHFFFAOYSA-N 45661 1-[1-[4-(difluoromethoxy)phenyl]propylideneamino]-3-isopropyl-thiourea::1-[1-[4-(difluoromethoxy)phenyl]propylideneamino]-3-propan-2-ylthiourea::1-[1-[4-[bis(fluoranyl)methoxy]phenyl]propylideneamino]-3-propan-2-yl-thiourea::MLS001006715::SMR000349641::cid_3985644 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45661&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5978123 252626257 ZINC13140007 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84114 CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl InChI=1S/C17H23Cl2NO2/c1-11-5-4-6-12(2)20(11)10-13(3)22-17(21)15-8-7-14(18)9-16(15)19/h7-9,11-13H,4-6,10H2,1-3H3 ZJSORPWYRKFLDQ-UHFFFAOYSA-N 45662 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2,4-bis(chloranyl)benzoate::1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2,4-dichlorobenzoate::2,4-dichlorobenzoic acid 1-(2,6-dimethyl-1-piperidinyl)propan-2-yl ester::2,4-dichlorobenzoic acid [2-(2,6-dimethylpiperidino)-1-methyl-ethyl] ester::MLS001006637::SMR000349653::cid_3957001 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45662&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3957001 252626258 ZINC04664858 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84115 COCCNC(=S)NN=C1CCCCCC1 InChI=1S/C11H21N3OS/c1-15-9-8-12-11(16)14-13-10-6-4-2-3-5-7-10/h2-9H2,1H3,(H2,12,14,16) HUNRLTPXXMDYGU-UHFFFAOYSA-N 33891 1-(cycloheptylideneamino)-3-(2-methoxyethyl)thiourea::MLS001004957::SMR000348558::cid_4175604 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33891&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4175604 252616789 ZINC13683969 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84116 Fc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 InChI=1S/C15H11BrFNO3/c16-13-4-2-1-3-12(13)15(20)21-9-14(19)18-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,19) YQBUGEFMHRXONI-UHFFFAOYSA-N 45663 2-bromobenzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester::2-bromobenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester::MLS001004414::SMR000347935::[2-(4-fluoroanilino)-2-oxoethyl] 2-bromobenzoate::[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate::cid_1711221 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45663&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1711221 252626259 ZINC01993763 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84117 CC(=O)NC(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 InChI=1S/C19H22N4O6/c1-11(24)21-13(12-7-5-4-6-8-12)9-15(26)29-10-14(25)16-17(20)22(2)19(28)23(3)18(16)27/h4-8,13H,9-10,20H2,1-3H3,(H,21,24) ZHHYPVVUUUFYHG-UHFFFAOYSA-N 45664 3-acetamido-3-phenyl-propionic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester::3-acetamido-3-phenylpropanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester::MLS000516535::SMR000342650::[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate::[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate::cid_4244537 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45664&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4244537 252626260 ZINC03342208 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84118 Clc1cccc(NC(=O)NNC2=NCCCCC2)c1 InChI=1S/C13H17ClN4O/c14-10-5-4-6-11(9-10)16-13(19)18-17-12-7-2-1-3-8-15-12/h4-6,9H,1-3,7-8H2,(H,15,17)(H2,16,18,19) GQHCNTADKUIZFN-UHFFFAOYSA-N 32941 1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)urea::MLS001018280::SMR000354510::cid_2323773 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32941&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2323773 252616075 ZINC03197297 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84119 COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1 InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17) CYAQTWKBNHAHHY-UHFFFAOYSA-N 33896 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001007132::SMR000352399::cid_2317506::methyl 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 29.633333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33896&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2317506 252616794 ZINC06372148 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84120 NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 InChI=1S/C15H13N3OS2/c16-18-14(19)11-7-5-10(6-8-11)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9,16H2,(H,18,19) YOTGUBMIVSMJKC-UHFFFAOYSA-N 45665 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide::4-[(1,3-benzothiazol-2-ylthio)methyl]benzohydrazide::MLS000517097::SMR000343266::cid_2435403 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45665&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2435403 252626261 ZINC03319671 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84121 CC1(C)C2CCC1(C)c1c2c(nn1-c1ccccc1)C(=O)N1CCOCC1 InChI=1S/C22H27N3O2/c1-21(2)16-9-10-22(21,3)19-17(16)18(20(26)24-11-13-27-14-12-24)23-25(19)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3 LPPFLTHBSKJODI-UHFFFAOYSA-N 45666 MLS001018798::SMR000363226::cid_4226568 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45666&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4226568 242053066 ZINC00630640 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84122 Cc1ccc(cc1)C(=O)n1ncn(C)c1=S InChI=1S/C11H11N3OS/c1-8-3-5-9(6-4-8)10(15)14-11(16)13(2)7-12-14/h3-7H,1-2H3 GHJUQPDHYJIXSP-UHFFFAOYSA-N 32945 (4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)methanone::(4-methylphenyl)-(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methanone::MLS001003934::SMR000347727::cid_2376254 Coagulation factor XII 498.353333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32945&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2376254 252616079 ZINC03259488 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84123 COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1 InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20) LVKKWCOINMSBPK-UHFFFAOYSA-N 33902 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001003740::SMR000347588::cid_2314952::methyl 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-tert-butylphenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 10.423333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33902&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314952 252616800 6553 ZINC06169299 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84124 Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccc(Br)cc1 InChI=1S/C17H13BrF3N7/c1-9-15-12(17(19,20)21)8-13(10-2-4-11(18)5-3-10)22-16(15)28(25-9)7-6-14-23-26-27-24-14/h2-5,8H,6-7H2,1H3,(H,23,24,26,27) DIDCTDHQEYBHHD-UHFFFAOYSA-N 45667 6-(4-bromophenyl)-3-methyl-1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine::6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine::MLS000771025::SMR000344142::cid_2100904 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45667&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2100904 252626262 ZINC02638150 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84125 Cc1ccc2nc(NCc3ccccc3)c(\C=N\Cc3cccnc3)c(=O)n2c1 InChI=1S/C23H21N5O/c1-17-9-10-21-27-22(26-14-18-6-3-2-4-7-18)20(23(29)28(21)16-17)15-25-13-19-8-5-11-24-12-19/h2-12,15-16,26H,13-14H2,1H3/b25-15+ HXODNPFTNMVRAF-MFKUBSTISA-N 45668 2-(benzylamino)-7-methyl-3-(3-pyridylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one::2-(benzylamino)-7-methyl-3-(pyridin-3-ylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one::7-methyl-2-[(phenylmethyl)amino]-3-(3-pyridinylmethyliminomethyl)-4-pyrido[1,2-a]pyrimidinone::7-methyl-2-[(phenylmethyl)amino]-3-(pyridin-3-ylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one::MLS001013480::SMR000353445::cid_2134247 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45668&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2134247 252626263 ZINC37868012 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84126 COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC InChI=1S/C18H22ClNO3/c1-12-9-15(16(21)11-19)13(2)20(12)8-7-14-5-6-17(22-3)18(10-14)23-4/h5-6,9-10H,7-8,11H2,1-4H3 GTRXJYISJOBLEB-UHFFFAOYSA-N 45669 2-chloranyl-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone::2-chloro-1-(1-homoveratryl-2,5-dimethyl-pyrrol-3-yl)ethanone::2-chloro-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone::2-chloro-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone::MLS000877957::SMR000376940::cid_2526884 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45669&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2526884 252626264 ZINC03408013 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84127 COc1ccc(cc1)C(=O)n1ncc(C#N)c1N InChI=1S/C12H10N4O2/c1-18-10-4-2-8(3-5-10)12(17)16-11(14)9(6-13)7-15-16/h2-5,7H,14H2,1H3 WUANWHWUHPZKMS-UHFFFAOYSA-N 33906 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile::5-amino-1-[(4-methoxyphenyl)-oxomethyl]-4-pyrazolecarbonitrile::5-amino-1-p-anisoyl-pyrazole-4-carbonitrile::5-azanyl-1-(4-methoxyphenyl)carbonyl-pyrazole-4-carbonitrile::MLS001005431::SMR000378089::cid_2405928 Coagulation factor XII 194.663333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33906&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2405928 252616804 ZINC03290389 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84128 COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1 InChI=1S/C16H17ClN2OS/c1-19(11-12-3-9-15(20-2)10-4-12)16(21)18-14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,21) JBGFMJIKWZNFNA-UHFFFAOYSA-N 45670 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-methyl-thiourea::3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylthiourea::3-(4-chlorophenyl)-1-methyl-1-p-anisyl-thiourea::MLS000771719::SMR000376381::cid_2105732 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45670&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2105732 252626265 ZINC13636372 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84129 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)Nc1cc(C)on1 InChI=1S/C20H25N3O6S/c1-14-11-18(22-29-14)21-19(24)13-28-20(25)15-7-6-10-17(12-15)30(26,27)23(2)16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,22,24) USDCEKIIPLSGMH-UHFFFAOYSA-N 45671 3-[cyclohexyl(methyl)sulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester::3-[cyclohexyl(methyl)sulfamoyl]benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester::MLS000774022::SMR000365203::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate::cid_2483085 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45671&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2483085 252626266 ZINC03365380 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84130 Fc1ccccc1C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1 InChI=1S/C21H22FN3O4S/c22-19-9-5-4-8-18(19)21(27)23-16-20(26)24-11-13-25(14-12-24)30(28,29)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2,(H,23,27)/b15-10+ BXVHPCDVYSVWKZ-XNTDXEJSSA-N 45672 2-fluoranyl-N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]benzamide::2-fluoro-N-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]benzamide::2-fluoro-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]benzamide::2-fluoro-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]benzamide::MLS000761029::SMR000372326::cid_6223925 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45672&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6223925 252626267 ZINC12549115 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84131 COc1ccc(cc1NC(=O)CN(C)C1CCCCC1)S(=O)(=O)N1CCCCC1 InChI=1S/C21H33N3O4S/c1-23(17-9-5-3-6-10-17)16-21(25)22-19-15-18(11-12-20(19)28-2)29(26,27)24-13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3,(H,22,25) JBVDYQDCDCOANA-UHFFFAOYSA-N 45673 2-[cyclohexyl(methyl)amino]-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide::2-[cyclohexyl(methyl)amino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide::2-[cyclohexyl(methyl)amino]-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide::2-[cyclohexyl(methyl)amino]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide::MLS000760974::SMR000372288::cid_4879461 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45673&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4879461 252626268 ZINC06637724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84132 COc1ccc(O)c(C=NNC(=O)c2cc(=O)[nH]c3ccccc23)c1 InChI=1S/C18H15N3O4/c1-25-12-6-7-16(22)11(8-12)10-19-21-18(24)14-9-17(23)20-15-5-3-2-4-13(14)15/h2-10,22H,1H3,(H,20,23)(H,21,24) WZBQYQBUYAHOBC-UHFFFAOYSA-N 45674 2-keto-N'-[(E)-(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-1H-quinoline-4-carbohydrazide::MLS000775323::N'-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-oxidanylidene-1H-quinoline-4-carbohydrazide::N'-[(E)-(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-oxo-1H-quinoline-4-carbohydrazide::N'-[(E)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-oxo-1H-quinoline-4-carbohydrazide::SMR000368403::cid_16196779 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45674&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16196779 252626269 ZINC13637888 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84133 CC(C)N(Cc1ccccc1)C(=S)NC1CCCCC1 InChI=1S/C17H26N2S/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,18,20) VGUZGFGEFYFGFT-UHFFFAOYSA-N 32959 1-benzyl-3-cyclohexyl-1-isopropyl-thiourea::1-benzyl-3-cyclohexyl-1-propan-2-ylthiourea::3-cyclohexyl-1-(phenylmethyl)-1-propan-2-yl-thiourea::3-cyclohexyl-1-(phenylmethyl)-1-propan-2-ylthiourea::MLS001033857::SMR000385743::cid_714760 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32959&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 714760 252616093 ZINC13687154 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84134 Oc1ccc(cc1)C(=O)OCC(=O)NCCCc1ccccc1 InChI=1S/C18H19NO4/c20-16-10-8-15(9-11-16)18(22)23-13-17(21)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,20H,4,7,12-13H2,(H,19,21) DBJJKOLLTRJPDJ-UHFFFAOYSA-N 33924 4-hydroxybenzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester::4-hydroxybenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester::MLS000760411::SMR000369677::[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-oxidanylbenzoate::[2-oxo-2-(3-phenylpropylamino)ethyl] 4-hydroxybenzoate::cid_2099220 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33924&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2099220 252616822 ZINC02636492 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84135 O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1 InChI=1S/C22H24N4O5S/c27-20(15-26-22(29)19-11-4-3-10-18(19)21(28)24-26)23-16-8-7-9-17(14-16)32(30,31)25-12-5-1-2-6-13-25/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,23,27)(H,24,28) XCXPNLPYOJCKNH-UHFFFAOYSA-N 32963 MLS001002654::N-[3-(1-azepanylsulfonyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide::N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,4-diketo-3H-phthalazin-2-yl)acetamide::N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide::N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanamide::SMR000369234::cid_4836011 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32963&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4836011 252616097 ZINC13135880 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84136 Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N1CC(=O)Nc2ccccc12 InChI=1S/C20H18N4O3/c1-13-5-4-6-14(11-13)24-19(26)10-9-16(22-24)20(27)23-12-18(25)21-15-7-2-3-8-17(15)23/h2-8,11H,9-10,12H2,1H3,(H,21,25) SOKMLGQJNAJECL-UHFFFAOYSA-N 45675 4-[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one::4-[6-keto-1-(m-tolyl)-4,5-dihydropyridazine-3-carbonyl]-1,3-dihydroquinoxalin-2-one::4-[[1-(3-methylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonyl]-1,3-dihydroquinoxalin-2-one::4-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazin-3-yl]-oxomethyl]-1,3-dihydroquinoxalin-2-one::MLS001061325::SMR000384979::cid_4884436 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45675&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4884436 252626270 ZINC08509988 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84137 COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1 InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14,15,16,17) LFZPKEYIGZKMGC-UHFFFAOYSA-N 33930 3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(2-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001032861::SMR000363482::cid_2314187::methyl 3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(2-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 71.956667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33930&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314187 252616828 ZINC06372154 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84138 CC(C1CC2CCC1C2)n1cc(O)c(c1N)-c1nc2ccccc2[nH]1 InChI=1S/C20H24N4O/c1-11(14-9-12-6-7-13(14)8-12)24-10-17(25)18(19(24)21)20-22-15-4-2-3-5-16(15)23-20/h2-5,10-14,25H,6-9,21H2,1H3,(H,22,23) DMZIRWOKFVEFRU-UHFFFAOYSA-N 45676 5-amino-4-(1H-benzimidazol-2-yl)-1-[1-(2-norbornyl)ethyl]-2-pyrrolin-3-one::5-amino-4-(1H-benzimidazol-2-yl)-1-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2H-pyrrol-3-one::5-azanyl-4-(1H-benzimidazol-2-yl)-1-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2H-pyrrol-3-one::MLS001010703::SMR000352825::cid_4008345 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45676&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896664 252626271 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84139 FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1 InChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-17-4/h1-3H,(H2,12,13,14,15,16) WGFZZAMGCMHIFU-UHFFFAOYSA-N 45677 MLS000771704::N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-thiophenecarboxamide::N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide::SMR000376429::cid_2097024 Coagulation factor XII 2110.713333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45677&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2097024 252626272 ZINC02634458 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84140 CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1 InChI=1S/C17H14N2O4/c1-18-16(20)10-23-17(21)12-9-14(15-7-4-8-22-15)19-13-6-3-2-5-11(12)13/h2-9H,10H2,1H3,(H,18,20) PCOMOZFNQLODPV-UHFFFAOYSA-N 45678 2-(2-furanyl)-4-quinolinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester::2-(2-furyl)cinchoninic acid [2-keto-2-(methylamino)ethyl] ester::MLS000877958::SMR000376950::[2-(methylamino)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate::[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate::cid_4875638 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45678&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4875638 252626273 ZINC06053835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84141 Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F InChI=1S/C9H7F3N4OS/c1-4-2-3-18-5(4)6(17)13-8-14-7(15-16-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15,16,17) NXTQGQURDPDRAY-UHFFFAOYSA-N 45679 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-thiophenecarboxamide::3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide::MLS000771714::SMR000376430::cid_2097045 Coagulation factor XII 1208.476667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45679&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2097045 252626274 ZINC02634481 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84142 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)CNCc2ccccn2)c1 InChI=1S/C19H21F3N4O2/c20-19(21,22)14-4-5-17(26-7-9-28-10-8-26)16(11-14)25-18(27)13-23-12-15-3-1-2-6-24-15/h1-6,11,23H,7-10,12-13H2,(H,25,27) CYWIAIKUMXRRBS-UHFFFAOYSA-N 45680 MLS001003916::N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-(2-pyridinylmethylamino)acetamide;oxalic acid::N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide;oxalic acid::N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(2-pyridylmethylamino)acetamide;oxalic acid::SMR000377648::cid_16244902::ethanedioic acid;N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)ethanamide Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45680&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2082734 252626275 ZINC12533350 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84143 CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C InChI=1S/C15H15ClN2O3S/c1-8-6-11(16)4-5-12(8)21-7-13(20)18-15-17-9(2)14(22-15)10(3)19/h4-6H,7H2,1-3H3,(H,17,18,20) JUNVWGHSLSEQOU-UHFFFAOYSA-N 45681 2-(4-chloranyl-2-methyl-phenoxy)-N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)ethanamide::MLS001005328::N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide::N-(5-acetyl-4-methyl-2-thiazolyl)-2-(4-chloro-2-methylphenoxy)acetamide::N-(5-acetyl-4-methyl-thiazol-2-yl)-2-(4-chloro-2-methyl-phenoxy)acetamide::SMR000348765::cid_3707383 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45681&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3707383 252626276 ZINC13143297 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84144 CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O InChI=1S/C17H17N3O5/c1-2-24-16-13(4-3-9-19-16)17(23)25-10-14(21)20-12-7-5-11(6-8-12)15(18)22/h3-9H,2,10H2,1H3,(H2,18,22)(H,20,21) APKVTBBQYOYTSN-UHFFFAOYSA-N 45682 2-ethoxy-3-pyridinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester::2-ethoxynicotinic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester::MLS001033363::SMR000363902::[2-(4-carbamoylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate::[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxypyridine-3-carboxylate::cid_2363932 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45682&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2363932 252626277 ZINC03246682 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84145 CN(C)c1ccc(cc1)C(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O InChI=1S/C19H22N4O2S/c1-20(2)16-5-3-15(4-6-16)19(26)22-13-11-21(12-14-22)17-7-9-18(10-8-17)23(24)25/h3-10H,11-14H2,1-2H3 YKCOHQFOGKUPKW-UHFFFAOYSA-N 32966 MLS001033622::SMR000363998::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanethione::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione::[4-(dimethylamino)phenyl]-[4-(4-nitrophenyl)piperazino]methanethione::cid_3962495 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32966&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3962495 252616100 ZINC04192930 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84146 OC(=O)[C@@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 InChI=1S/C23H24N4O4/c28-21(24-20(23(30)31)16-6-2-1-3-7-16)17-12-10-15(11-13-17)14-27-22(29)18-8-4-5-9-19(18)25-26-27/h1-9,15,17,20H,10-14H2,(H,24,28)(H,30,31)/t15?,17?,20-/m0/s1 HCALKPNAORYWSW-LAGYLCCXSA-N 45683 (2S)-2-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenyl-acetic acid::(2S)-2-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid::(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid::(2S)-2-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]-2-phenylacetic acid::(S)-{[4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarbonyl]-amino}-phenyl-acetic acid::MLS000777215::SMR000413610::cid_8027721 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45683&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8027721 252626278 ZINC06658602 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84147 CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(O)=O)c1cccc(Cl)c1Cl InChI=1S/C17H15Cl2N3O5S/c1-28(26,27)22(14-8-4-7-13(18)16(14)19)10-15(23)21-20-9-11-5-2-3-6-12(11)17(24)25/h2-9H,10H2,1H3,(H,21,23)(H,24,25) KHXRNHKWNRSEFJ-UHFFFAOYSA-N 45684 2-({2-[(2,3-Dichloro-phenyl)-methanesulfonyl-amino]-acetyl}-hydrazonomethyl)-benzoic acid::2-[[2-[[2,3-bis(chloranyl)phenyl]-methylsulfonyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid::2-[[[2-(2,3-dichloro-N-mesyl-anilino)acetyl]hydrazono]methyl]benzoic acid::2-[[[2-(2,3-dichloro-N-methylsulfonylanilino)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid::2-[[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid::MLS000778354::SMR000415148::cid_1890980 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45684&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6881417 252626279 ZINC15985256 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84148 OC(=O)c1ccc(cc1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 InChI=1S/C20H15ClN2O4S/c21-16-8-12-18(13-9-16)28(26,27)23-19(14-4-2-1-3-5-14)22-17-10-6-15(7-11-17)20(24)25/h1-13H,(H,22,23)(H,24,25) IOUOGVAXDBFUIR-UHFFFAOYSA-N 32968 4-({[(E)-4-Chloro-benzenesulfonylimino]-phenyl-methyl}-amino)-benzoic acid::4-[[(4-chlorophenyl)sulfonylimino-phenylmethyl]amino]benzoic acid::4-[[N-(4-chlorophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]benzoic acid::4-[[N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid::MLS000777192::SMR000413588::cid_2872795 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32968&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5727114 252616102 ZINC12523953 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84149 CCOc1ccc(cc1)N=C(N)Nc1nc(CSc2nnc(C)s2)cc(=O)[nH]1 InChI=1S/C17H19N7O2S2/c1-3-26-13-6-4-11(5-7-13)19-15(18)22-16-20-12(8-14(25)21-16)9-27-17-24-23-10(2)28-17/h4-8H,3,9H2,1-2H3,(H4,18,19,20,21,22,25) UAXHXLMDNJWYMK-UHFFFAOYSA-N 32969 1-(4-ethoxyphenyl)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine::1-(4-ethoxyphenyl)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::1-(4-ethoxyphenyl)-2-[6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::2-[4-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-pyrimidin-2-yl]-1-p-phenetyl-guanidine::MLS000778372::N-(4-Ethoxy-phenyl)-N'-[6-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-4-oxo-1,4-dihydro-pyrimidin-2-y l]-guanidine::SMR000415166::cid_5585256 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32969&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5585256 252616103 ZINC18169028 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84150 OC(=O)CCN1C(=O)C2[C@H](C3c4ccccc4C2c2ccccc32)C1=O InChI=1S/C21H17NO4/c23-15(24)9-10-22-20(25)18-16-11-5-1-2-6-12(11)17(19(18)21(22)26)14-8-4-3-7-13(14)16/h1-8,16-19H,9-10H2,(H,23,24)/t16?,17?,18-,19?/m0/s1 LVWFLTFTSGBKPM-VVXOGMOBSA-N 45685 MLS000777242::SMR000413637::cid_16411115 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45685&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16411115 242053067 ZINC00064619 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84151 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O InChI=1S/C15H16N2O4S2/c18-13(19)9-17-14(20)11(23-15(17)22)8-10-4-5-12(21-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)/b11-8- SWDYMRUGEGFTAP-FLIBITNWSA-N 45686 2-[(5Z)-4-keto-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid::2-[(5Z)-4-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxo-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetic acid::MLS000779190::SMR000415883::cid_1837692::{4-Oxo-5-[1-(5-piperidin-1-yl-furan-2-yl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-acetic acid Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45686&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1837692 252626280 ZINC02204115 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84152 OC(=O)c1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1 InChI=1S/C17H12N2O3S2/c20-15-14(10-11-6-8-12(9-7-11)16(21)22)24-17(23)19(15)18-13-4-2-1-3-5-13/h1-10,18H,(H,21,22)/b14-10- LTGJJOLOFIAMQW-UVTDQMKNSA-N 32971 4-[(Z)-(3-anilino-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid::4-[(Z)-(3-anilino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid::4-[(Z)-(3-anilino-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzoic acid::4-[(Z)-(4-oxidanylidene-3-phenylazanyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid::4-[4-Oxo-3-phenylamino-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-benzoic acid::MLS000777258::SMR000413653::cid_1903391 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32971&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1903391 252616105 ZINC01221260 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84153 CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26) FUAUHVLEKGYOBZ-UHFFFAOYSA-N 45687 MLS000779368::N,N-Dimethyl-N'-(5-phenyl-1,2,3,4-tetrahydro-7-thia-6,9,11-triaza-benzo[c]fluoren-8-yl)-ethane-1,2-diam ine::SMR000416082::cid_1919081 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45687&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1919081 242053068 ZINC38139163 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84154 Clc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1-n1cc[n+](Cc2ccccc2)c1 InChI=1S/C24H18ClN5O2S/c25-19-10-12-20(13-11-19)33(31,32)28-23-24(27-22-9-5-4-8-21(22)26-23)30-15-14-29(17-30)16-18-6-2-1-3-7-18/h1-15,17H,16H2 VHOQRDOZGRCZBD-UHFFFAOYSA-N 32975 (4-chlorophenyl)sulfonyl-[3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]azanide::(4-chlorophenyl)sulfonyl-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]azanide::MLS001012277::SMR000425085::[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(4-chlorophenyl)sulfonyl-azanide::[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(4-chlorophenyl)sulfonylazanide::cid_1390207 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32975&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1390207 252616109 ZINC13685501 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84155 NNC(=O)CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23) XLGCMZLSEXRBSG-UHFFFAOYSA-N 45688 (7-Bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetic acid hydrazide::2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanehydrazide::2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide::2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide::MLS001012266::SMR000425069::cid_121919 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45688&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121919 252626281 ZINC01544309 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84156 CCOc1ccc(cc1)-c1c(C)n(c2CCCCC[n+]12)-c1ccc(OCC)cc1 InChI=1S/C25H31N2O2/c1-4-28-22-14-10-20(11-15-22)25-19(3)27(24-9-7-6-8-18-26(24)25)21-12-16-23(17-13-21)29-5-2/h10-17H,4-9,18H2,1-3H3/q+1 PZLSVBQHOMDHFI-UHFFFAOYSA-N 32977 1,3-Bis-(4-ethoxy-phenyl)-2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium::1,3-bis(4-ethoxyphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium;perchlorate::2-methyl-1,3-bis(p-phenetyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium;perchlorate::MLS001029558::SMR000425026::cid_16681898 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32977&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1387498 252616111 ZINC13686361 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84157 CC1(C)OC(OC1(C)C)=C\C=N\c1ccc(Cl)cc1 InChI=1S/C15H18ClNO2/c1-14(2)15(3,4)19-13(18-14)9-10-17-12-7-5-11(16)6-8-12/h5-10H,1-4H3/b17-10+ JHLMJDYXOXCYRG-LICLKQGHSA-N 45689 (4-Chloro-phenyl)-[2-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylidene)-eth-(E)-ylidene]-amine::(4-chlorophenyl)-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylidene]amine::MLS001012304::N-(4-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethanimine::SMR000425145::cid_929510 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45689&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 929510 252626282 ZINC18115388 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84158 Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O InChI=1S/C11H8ClN3O4/c1-14-11(16)10(12)9(6-13-14)19-8-4-2-7(3-5-8)15(17)18/h2-6H,1H3 XYKHHCYGPWCUAL-UHFFFAOYSA-N 45690 4-Chloro-2-methyl-5-(4-nitro-phenoxy)-2H-pyridazin-3-one::4-chloranyl-2-methyl-5-(4-nitrophenoxy)pyridazin-3-one::4-chloro-2-methyl-5-(4-nitrophenoxy)-3-pyridazinone::4-chloro-2-methyl-5-(4-nitrophenoxy)pyridazin-3-one::MLS001049288::SMR000427659::cid_826310 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45690&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 826310 252626283 ZINC00346181 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84159 OC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 InChI=1S/C22H19N3O2/c26-22(27)17-10-12-18(13-11-17)23-14-21-24-19-8-4-5-9-20(19)25(21)15-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,27) BICCDARBUKIKMR-UHFFFAOYSA-N 45691 4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid::4-[(1-benzylbenzimidazol-2-yl)methylamino]benzoic acid::4-[[1-(phenylmethyl)-2-benzimidazolyl]methylamino]benzoic acid::4-[[1-(phenylmethyl)benzimidazol-2-yl]methylamino]benzoic acid::MLS000779109::SMR000415815::cid_1097871 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45691&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1097871 252626284 ZINC00821052 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84160 COc1ccc(OC)c(CN=Nc2cc(C)nc(n2)N2CCOCC2)c1 InChI=1S/C18H23N5O3/c1-13-10-17(21-18(20-13)23-6-8-26-9-7-23)22-19-12-14-11-15(24-2)4-5-16(14)25-3/h4-5,10-11H,6-9,12H2,1-3H3 UTXJJRSKMNIVQJ-UHFFFAOYSA-N 45692 MLS001012391::N-[(2,5-dimethoxyphenyl)methylideneamino]-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine::N-[(2,5-dimethoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-yl-pyrimidin-4-amine::N-[(2,5-dimethoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine::N-[1-(2,5-Dimethoxy-phenyl)-meth-(E)-ylidene]-N'-(6-methyl-2-morpholin-4-yl-pyrimidin-4-yl)-hydrazine::SMR000426940::[(2,5-dimethoxybenzylidene)amino]-(6-methyl-2-morpholino-pyrimidin-4-yl)amine::cid_4262426 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45692&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896665 252626285 ZINC38206721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84161 NC(=S)C(=NNc1ccccc1)C#N InChI=1S/C9H8N4S/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,12H,(H2,11,14) XUOXEDOPLLUZBF-UHFFFAOYSA-N 45693 2-Cyano-2-(phenyl-hydrazono)-thioacetamide::2-amino-N-anilino-2-sulfanylideneethanimidoyl cyanide::2-cyano-2-(phenylhydrazinylidene)ethanethioamide::2-cyano-2-(phenylhydrazono)thioacetamide::MLS000779875::SMR000420058::cid_703041 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45693&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5367144 252626286 ZINC95918559 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84162 COc1ccc(cc1)C1CC(=O)C(C(C2C(=O)CC(CC2=O)c2ccc(OC)cc2)c2ccc(O)cc2)C(=O)C1 InChI=1S/C33H32O7/c1-39-25-11-5-19(6-12-25)22-15-27(35)32(28(36)16-22)31(21-3-9-24(34)10-4-21)33-29(37)17-23(18-30(33)38)20-7-13-26(40-2)14-8-20/h3-14,22-23,31-34H,15-18H2,1-2H3 HOGUCNPGZXMBGW-UHFFFAOYSA-N 45694 2-[(4-hydroxyphenyl)-[4-(4-methoxyphenyl)-2,6-bis(oxidanylidene)cyclohexyl]methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione::2-[(4-hydroxyphenyl)-[4-(4-methoxyphenyl)-2,6-dioxocyclohexyl]methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione::2-[[2,6-diketo-4-(4-methoxyphenyl)cyclohexyl]-(4-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone::MLS000777723::SMR000414148::cid_3776932 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45694&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3776932 252626287 ZINC17527788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84163 Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1 InChI=1S/C22H18N2O2S/c1-15-9-10-16-13-17(21(25)23-19(16)12-15)14-24(18-6-3-2-4-7-18)22(26)20-8-5-11-27-20/h2-13H,14H2,1H3,(H,23,25) PIXCFJCUHPXEMZ-UHFFFAOYSA-N 45695 MLS000778265::N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-N-phenyl-thiophene-2-carboxamide::N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-phenyl-thiophene-2-carboxamide::N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-2-thiophenecarboxamide::N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide::SMR000414939::Thiophene-2-carboxylic acid (2-hydroxy-7-methyl-quinolin-3-ylmethyl)-phenyl-amide::cid_1420394 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45695&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1420394 252626288 ZINC09463358 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84164 CSc1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1 InChI=1S/C14H16N2O3S3/c1-14(2)4-7-8(5-19-14)22-12-10(7)11(21-6-9(17)18)15-13(16-12)20-3/h4-6H2,1-3H3,(H,17,18) IXXWYVBNIBPYDS-UHFFFAOYSA-N 45696 (6,6-Dimethyl-2-methylsulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-aceti c acid::2-[(6,6-dimethyl-2-methylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]acetic acid::2-[(6,6-dimethyl-2-methylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]ethanoic acid::2-[[6,6-dimethyl-2-(methylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]acetic acid::MLS000778209::SMR000414967::cid_1868051 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45696&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1868051 252626289 ZINC02237023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84165 CCOC(=O)CNC(=O)Cc1ccc(OC)cc1 InChI=1S/C13H17NO4/c1-3-18-13(16)9-14-12(15)8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15) WRABAMUPUBBABY-UHFFFAOYSA-N 45697 2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]acetic acid ethyl ester::2-[[2-(4-methoxyphenyl)acetyl]amino]acetic acid ethyl ester::MLS000779842::SMR000419974::[2-(4-Methoxy-phenyl)-acetylamino]-acetic acid ethyl ester::cid_1920892::ethyl 2-[2-(4-methoxyphenyl)ethanoylamino]ethanoate::ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1920892 252626290 ZINC02301741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84166 Cc1ccc(cc1)N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C22H27N3O5S/c1-15-5-9-17(10-6-15)25(31(29,30)19-11-7-16(2)8-12-19)14-18(26)13-24-20(27)22(3,4)23-21(24)28/h5-12,18,26H,13-14H2,1-4H3,(H,23,28) IZPRAKDROYCAJQ-UHFFFAOYSA-N 45698 MLS000778233::N-[3-(2,5-diketo-4,4-dimethyl-imidazolidin-1-yl)-2-hydroxy-propyl]-4-methyl-N-(p-tolyl)benzenesulfonamide::N-[3-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-hydroxy-propyl]-4-methyl-N-p-tolyl-benzenesulfonamid e::N-[3-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide::N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide::N-[3-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-oxidanyl-propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide::SMR000414912::cid_3649208 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45698&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3649208 252626291 ZINC01303232 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84167 Clc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccccc1 InChI=1S/C17H15ClN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22) MNHKYILFRYVHFG-UHFFFAOYSA-N 45699 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (2-chloro-phenyl)-amide::MLS001012136::N-(2-chlorophenyl)-5-keto-1-phenyl-pyrrolidine-3-carboxamide::N-(2-chlorophenyl)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide::N-(2-chlorophenyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide::N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide::SMR000425322::cid_3436530 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45699&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3436530 252626292 ZINC04673263 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84168 [O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1 InChI=1S/C15H11N5O3/c21-15(10-5-6-12-13(7-10)17-9-16-12)19-18-8-11-3-1-2-4-14(11)20(22)23/h1-9H,(H,16,17)(H,19,21) FNCMTJQTPCSTJV-UHFFFAOYSA-N 33000 3H-Benzoimidazole-5-carboxylic acid [1-(2-nitro-phenyl)-meth-(E)-ylidene]-hydrazide::MLS000768018::N-[(2-nitrobenzylidene)amino]-3H-benzimidazole-5-carboxamide::N-[(2-nitrophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide::SMR000431332::cid_947659 Coagulation factor XII 3296.416667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33000&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9557778 252616133 ZINC13635487 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84169 O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1 InChI=1S/C18H17NO2S/c20-17(19-15-11-12-22-18(15)21)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20) OHQVBBHTUGGVNK-UHFFFAOYSA-N 33001 MLS001012174::N-(2-Oxo-tetrahydro-thiophen-3-yl)-2,2-diphenyl-acetamide::N-(2-ketotetrahydrothiophen-3-yl)-2,2-diphenyl-acetamide::N-(2-oxidanylidenethiolan-3-yl)-2,2-diphenyl-ethanamide::N-(2-oxo-3-thiolanyl)-2,2-diphenylacetamide::N-(2-oxothiolan-3-yl)-2,2-diphenylacetamide::SMR000425361::cid_3136355 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33001&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3136355 252616134 ZINC00318393 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84170 CC1(C)CC(=O)C(=NNc2ccc(Br)cc2)C(=O)C1 InChI=1S/C14H15BrN2O2/c1-14(2)7-11(18)13(12(19)8-14)17-16-10-5-3-9(15)4-6-10/h3-6,16H,7-8H2,1-2H3 RSBZSEBLXLCJDF-UHFFFAOYSA-N 45700 2-[(4-Bromo-phenyl)-hydrazono]-5,5-dimethyl-cyclohexane-1,3-dione::2-[(4-bromophenyl)hydrazinylidene]-5,5-dimethyl-cyclohexane-1,3-dione::2-[(4-bromophenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[(4-bromophenyl)hydrazono]-5,5-dimethyl-cyclohexane-1,3-quinone::MLS000780370::SMR000424659::cid_917378 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45700&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 917378 252626293 ZINC00504026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84171 Brc1c(C[n+]2ccccc2)nc2ccccn12 InChI=1S/C13H11BrN3/c14-13-11(10-16-7-3-1-4-8-16)15-12-6-2-5-9-17(12)13/h1-9H,10H2/q+1 SDCFSFHWBKMEQP-UHFFFAOYSA-N 45701 1-(3-Bromo-imidazo[1,2-a]pyridin-2-ylmethyl)-pyridinium::3-bromanyl-2-(pyridin-1-ium-1-ylmethyl)imidazo[1,2-a]pyridine;bromide::3-bromo-2-(1-pyridin-1-iumylmethyl)imidazo[1,2-a]pyridine;bromide::3-bromo-2-(pyridin-1-ium-1-ylmethyl)imidazo[1,2-a]pyridine;bromide::MLS001044352::SMR000424870::cid_16682279 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45701&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 915791 252626294 ZINC00501610 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84172 CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc(OC)c(OC)c1)C(C)=O InChI=1S/C18H22N2O5S/c1-6-25-17(22)15-10(2)19-18(26)20(11(3)21)16(15)12-7-8-13(23-4)14(9-12)24-5/h7-9,16H,6H2,1-5H3,(H,19,26) DQTWGDAVOCNYMX-UHFFFAOYSA-N 45702 3-Acetyl-4-(3,4-dimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester::3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::MLS001044318::SMR000424948::cid_3096985::ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate::ethyl 4-(3,4-dimethoxyphenyl)-3-ethanoyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45702&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3096985 252626295 ZINC18204227 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84173 COc1ccc(cc1OC)C(=O)CSc1nc2ncccc2[nH]1 InChI=1S/C16H15N3O3S/c1-21-13-6-5-10(8-14(13)22-2)12(20)9-23-16-18-11-4-3-7-17-15(11)19-16/h3-8H,9H2,1-2H3,(H,17,18,19) MSADXYKGXYRMOT-UHFFFAOYSA-N 45703 1-(3,4-Dimethoxy-phenyl)-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-ethanone::1-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone::1-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylthio)ethanone::MLS000333300::SMR000436631::cid_3999131 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45703&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3999131 252626296 ZINC13865226 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84174 COc1ccc2nc3ccccc3nc2c1N InChI=1S/C13H11N3O/c1-17-11-7-6-10-13(12(11)14)16-9-5-3-2-4-8(9)15-10/h2-7H,14H2,1H3 NXMHFOGBPMFZHN-UHFFFAOYSA-N 45704 (2-methoxyphenazin-1-yl)amine::2-Methoxy-phenazin-1-ylamine::2-methoxy-1-phenazinamine::2-methoxyphenazin-1-amine::MLS001044341::SMR000424883::cid_610995 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45704&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 610995 252626297 ZINC03886442 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84175 C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 InChI=1S/C19H26N4O4S/c1-11-7-8-14(12(2)9-11)21-15(24)10-28-18-23-22-16(26-18)13(3)20-17(25)27-19(4,5)6/h7-9,13H,10H2,1-6H3,(H,20,25)(H,21,24)/t13-/m0/s1 QAOSLTWUJHWIJI-ZDUSSCGKSA-N 45705 ((S)-1-{5-[(2,4-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester::MLS000333340::N-[(1S)-1-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester::N-[(1S)-1-[5-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester::SMR000436686::cid_7481717::tert-butyl N-[(1S)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate::tert-butyl N-[(1S)-1-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45705&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7481717 252626298 ZINC05072428 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84176 Cc1ccsc1C=NNC(=O)c1ccc2OCCOc2c1 InChI=1S/C15H14N2O3S/c1-10-4-7-21-14(10)9-16-17-15(18)11-2-3-12-13(8-11)20-6-5-19-12/h2-4,7-9H,5-6H2,1H3,(H,17,18) TXKZEVWJSFXKFZ-UHFFFAOYSA-N 45706 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide::MLS000780450::N-[(3-methyl-2-thienyl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide::N-[(3-methyl-2-thiophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide::N-[(3-methylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide::SMR000424745::cid_919968 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45706&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6883293 252626299 ZINC13110381 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84177 COc1cccc(c1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1 InChI=1S/C19H16N2O4/c1-13(22)24-19-17(12-20-15-9-6-10-16(11-15)23-2)21-18(25-19)14-7-4-3-5-8-14/h3-12H,1-2H3/b20-12+ FTTVJIBKWZJJQK-UDWIEESQSA-N 45707 Acetic acid 4-{[(E)-3-methoxy-phenylimino]-methyl}-2-phenyl-oxazol-5-yl ester::MLS000780377::SMR000424666::[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate::[4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-yl] ethanoate::acetic acid [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-5-oxazolyl] ester::acetic acid [4-[(3-methoxyphenyl)iminomethyl]-2-phenyl-oxazol-5-yl] ester::cid_917296 Coagulation factor XII 2287.84 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45707&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 917296 252626300 ZINC13110412 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84178 Cc1ccc(cc1N)C(=O)C(=O)c1ccc(C)c(N)c1 InChI=1S/C16H16N2O2/c1-9-3-5-11(7-13(9)17)15(19)16(20)12-6-4-10(2)14(18)8-12/h3-8H,17-18H2,1-2H3 DAEYXUPGJKYJQT-UHFFFAOYSA-N 33003 1,2-Bis-(3-amino-4-methyl-phenyl)-ethane-1,2-dione::1,2-bis(3-amino-4-methyl-phenyl)ethane-1,2-dione::1,2-bis(3-amino-4-methylphenyl)ethane-1,2-dione::1,2-bis(3-azanyl-4-methyl-phenyl)ethane-1,2-dione::MLS000780380::SMR000424690::cid_1868544 Coagulation factor XII 15680.72667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33003&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1868544 252616136 ZINC02237547 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84179 Cc1cc2c(nc(oc2=O)-c2ccccc2Br)s1 InChI=1S/C13H8BrNO2S/c1-7-6-9-12(18-7)15-11(17-13(9)16)8-4-2-3-5-10(8)14/h2-6H,1H3 ANAMDTZYLYXCBT-UHFFFAOYSA-N 33004 2-(2-Bromo-phenyl)-6-methyl-thieno[2,3-d][1,3]oxazin-4-one::2-(2-bromophenyl)-6-methyl-4-thieno[2,3-d][1,3]oxazinone::2-(2-bromophenyl)-6-methyl-thieno[2,3-d][1,3]oxazin-4-one::2-(2-bromophenyl)-6-methylthieno[2,3-d][1,3]oxazin-4-one::MLS000767779::SMR000430108::cid_3796366 Coagulation factor XII 1784.073333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33004&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3796366 252616137 ZINC04910288 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84180 CC(CNCCNc1ccc(cc1)[N+]([O-])=O)Oc1nonc1C InChI=1S/C14H19N5O4/c1-10(22-14-11(2)17-23-18-14)9-15-7-8-16-12-3-5-13(6-4-12)19(20)21/h3-6,10,15-16H,7-9H2,1-2H3 YABNBMMQOMXIHB-UHFFFAOYSA-N 45708 2-(4-methylfurazan-3-yl)oxypropyl-[2-(4-nitroanilino)ethyl]amine;hydrochloride::MLS000769573::N-[2-(4-Methyl-furazan-3-yloxy)-propyl]-N'-(4-nitro-phenyl)-ethane-1,2-diamine::N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride::SMR000434305::cid_16472050 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45708&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3836039 252626301 ZINC04168260 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84181 CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1 InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-10-11-16(21)18-12-14(19)17-15(20)13-18/h2-13H2,1H3,(H,17,19,20) IDHQZKBICOXDJO-UHFFFAOYSA-N 45709 4-(1-oxododecyl)piperazine-2,6-dione::4-Dodecanoyl-piperazine-2,6-dione::4-dodecanoylpiperazine-2,6-dione::4-lauroylpiperazine-2,6-quinone::MLS000767139::SMR000429464::cid_2775706 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45709&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2775706 252626302 ZINC17527461 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84182 Fc1ccc(SCCc2cccc[nH+]2)cc1 InChI=1S/C13H12FNS/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2/p+1 LAGVFMQMEDEGPV-UHFFFAOYSA-O 45710 2-[2-(4-Fluoro-phenylsulfanyl)-ethyl]-pyridinium::MLS000767112::SMR000429527::cid_16682387::dihydrogen phosphate;2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium::dihydrogen phosphate;2-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45710&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3613473 252626303 ZINC00231803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84183 CC(C)Oc1ccc(cc1)C(CC(=O)NCCCN(C)C)c1ccc(C)cc1 InChI=1S/C24H34N2O2/c1-18(2)28-22-13-11-21(12-14-22)23(20-9-7-19(3)8-10-20)17-24(27)25-15-6-16-26(4)5/h7-14,18,23H,6,15-17H2,1-5H3,(H,25,27) BWWXTWGITFHORH-UHFFFAOYSA-N 45711 MLS000332228::N-(3-Dimethylamino-propyl)-3-(4-isopropoxy-phenyl)-3-p-tolyl-propionamide::N-[3-(dimethylamino)propyl]-3-(4-isopropoxyphenyl)-3-(p-tolyl)propionamide::N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide::SMR000434908::cid_5150277 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45711&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5150277 252626304 ZINC02389184 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84184 CCOC(=O)C(=C\N=c1/ccc(C)cn1C)\C#N InChI=1S/C13H15N3O2/c1-4-18-13(17)11(7-14)8-15-12-6-5-10(2)9-16(12)3/h5-6,8-9H,4H2,1-3H3/b11-8+,15-12+ KHZWEPGFJACMBA-XVNCSPBISA-N 45712 (E)-2-Cyano-3-[1,5-dimethyl-1H-pyridin-(2Z)-ylideneamino]-acrylic acid ethyl ester::(E)-2-cyano-3-[(1,5-dimethyl-2-pyridinylidene)amino]-2-propenoic acid ethyl ester::(E)-2-cyano-3-[(1,5-dimethyl-2-pyridylidene)amino]acrylic acid ethyl ester::MLS000767183::SMR000429507::cid_910632::ethyl (E)-2-cyano-3-[(1,5-dimethylpyridin-2-ylidene)amino]prop-2-enoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45712&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 910632 252626305 ZINC70036259 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84185 COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1 InChI=1S/C19H23N5O/c1-13-8-6-9-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-10-7-11-16(12-15)25-5/h6-12,20H,1-5H3 QRHWBNDQGIHIGO-UHFFFAOYSA-N 33006 MLS000767171::N-[2-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]propan-2-yl]-3-methoxy-aniline::N-[2-[1-(2,6-dimethylphenyl)-5-tetrazolyl]propan-2-yl]-3-methoxyaniline::N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline::SMR000429496::[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-methyl-ethyl]-(3-methoxyphenyl)amine::cid_596368::{1-[1-(2,6-Dimethyl-phenyl)-1H-tetrazol-5-yl]-1-methyl-ethyl}-(3-methoxy-phenyl)-amine Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33006&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 596368 252616139 ZINC04794614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84186 NS(=O)(=O)c1ccc(Cl)cc1[N+]([O-])=O InChI=1S/C6H5ClN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13) QOQQUXGKXVOXTH-UHFFFAOYSA-N 33007 4-chloranyl-2-nitro-benzenesulfonamide::4-chloro-2-nitro-benzenesulfonamide::4-chloro-2-nitrobenzenesulfonamide::MLS000737085::SMR000528364::cid_83773 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33007&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 83773 252616140 ZINC01574310 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84187 COc1ccc(\C=C2/N=C(C)OC2=O)cc1[N+]([O-])=O InChI=1S/C12H10N2O5/c1-7-13-9(12(15)19-7)5-8-3-4-11(18-2)10(6-8)14(16)17/h3-6H,1-2H3/b9-5- AVHSXBWDROAZHU-UITAMQMPSA-N 45713 (4Z)-4-(4-methoxy-3-nitro-benzylidene)-2-methyl-2-oxazolin-5-one::(4Z)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-2-methyl-1,3-oxazol-5-one::(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-1,3-oxazol-5-one::(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxazolone::4-[1-(4-Methoxy-3-nitro-phenyl)-meth-(Z)-ylidene]-2-methyl-4H-oxazol-5-one::MLS000769212::SMR000433946::cid_1920706 Coagulation factor XII 12600.00667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45713&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1920706 252626306 ZINC06690994 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84188 CCOC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O InChI=1S/C14H14ClNO4/c1-3-16-10-6-5-8(15)7-9(10)12(17)11(13(16)18)14(19)20-4-2/h5-7,17H,3-4H2,1-2H3 KSHXYSCRQMFKFW-UHFFFAOYSA-N 45714 (3Z)-6-chloranyl-3-[ethoxy(oxidanyl)methylidene]-1-ethyl-quinoline-2,4-dione::(3Z)-6-chloro-3-[ethoxy(hydroxy)methylene]-1-ethyl-quinoline-2,4-quinone::(3Z)-6-chloro-3-[ethoxy(hydroxy)methylidene]-1-ethylquinoline-2,4-dione::6-Chloro-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester::MLS000769213::SMR000433947::cid_5401647 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45714&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 54682077 252626307 ZINC17778027 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84189 CC(=NNC(=O)CCn1nnc2ccccc12)c1cccs1 InChI=1S/C15H15N5OS/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21) LAEAICIHMHJQSL-UHFFFAOYSA-N 45715 3-(1-benzotriazolyl)-N-(1-thiophen-2-ylethylideneamino)propanamide::3-(benzotriazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)propanamide::3-(benzotriazol-1-yl)-N-[1-(2-thienyl)ethylideneamino]propionamide::3-Benzotriazol-1-yl-propionic acid [1-thiophen-2-yl-eth-(E)-ylidene]-hydrazide::MLS000769289::SMR000434023::cid_742351 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45715&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9615774 252626308 ZINC13113851 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84190 O=C(CSc1nc2ccccc2s1)NC1CCCC1 InChI=1S/C14H16N2OS2/c17-13(15-10-5-1-2-6-10)9-18-14-16-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17) OADYLYORLRNWBL-UHFFFAOYSA-N 45716 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyl-ethanamide::2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide::2-(1,3-benzothiazol-2-ylthio)-N-cyclopentyl-acetamide::2-(1,3-benzothiazol-2-ylthio)-N-cyclopentylacetamide::2-(Benzothiazol-2-ylsulfanyl)-N-cyclopentyl-acetamide::MLS000762649::SMR000438203::cid_755801 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45716&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 755801 252626309 ZINC00210823 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84191 CCC1=NN(C(=O)Cc2ccc(cc2)[N+]([O-])=O)C(O)(C1)C(F)(F)F InChI=1S/C14H14F3N3O4/c1-2-10-8-13(22,14(15,16)17)19(18-10)12(21)7-9-3-5-11(6-4-9)20(23)24/h3-6,22H,2,7-8H2,1H3 MLMYUQKPABAGRO-UHFFFAOYSA-N 45717 1-(3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-2-(4-nitro-phenyl)-ethanone::1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone::1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone::1-[3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone::MLS001043238::SMR000425284::cid_2869307 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2869307 252626310 ZINC00108266 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84192 COc1ccc(C=NNC(=O)CCn2cnc3ccccc23)cc1 InChI=1S/C18H18N4O2/c1-24-15-8-6-14(7-9-15)12-20-21-18(23)10-11-22-13-19-16-4-2-3-5-17(16)22/h2-9,12-13H,10-11H2,1H3,(H,21,23) NEXBEGNBBBAVQC-UHFFFAOYSA-N 33011 3-(1-benzimidazolyl)-N-[(4-methoxyphenyl)methylideneamino]propanamide::3-(benzimidazol-1-yl)-N-(p-anisylideneamino)propionamide::3-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]propanamide::3-Benzoimidazol-1-yl-propionic acid [1-(4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide::MLS000769034::SMR000433756::cid_946228 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33011&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6889200 252616144 ZINC33324215 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84193 Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1 InChI=1S/C13H16N4OS/c1-9-12(10(2)16-15-9)5-6-13(18)17-14-8-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18) VODBTUMWVHMUGD-UHFFFAOYSA-N 45718 3-(3,5-Dimethyl-1H-pyrazol-4-yl)-propionic acid [1-thiophen-2-yl-meth-(E)-ylidene]-hydrazide::3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thenylideneamino)propionamide::3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)propanamide::MLS000769023::SMR000433748::cid_687634 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45718&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5343075 252626311 ZINC04464101 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84194 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl InChI=1S/C18H17Cl2N3O2/c1-12(9-13-5-3-2-4-6-13)22-23-17(24)11-21-18(25)15-8-7-14(19)10-16(15)20/h2-8,10H,9,11H2,1H3,(H,21,25)(H,23,24) PZIBGEPFMJMDQO-UHFFFAOYSA-N 45719 2,4-Dichloro-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide::2,4-bis(chloranyl)-N-[2-oxidanylidene-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]benzamide::2,4-dichloro-N-[2-keto-2-[N'-(1-methyl-2-phenyl-ethylidene)hydrazino]ethyl]benzamide::2,4-dichloro-N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]benzamide::MLS000769022::SMR000433832::cid_4371474 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45719&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9659641 252626312 ZINC13137015 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84195 O=C(NCc1ccc2NC(=O)c3cccc1c23)c1cccs1 InChI=1S/C17H12N2O2S/c20-16-12-4-1-3-11-10(6-7-13(19-16)15(11)12)9-18-17(21)14-5-2-8-22-14/h1-8H,9H2,(H,18,21)(H,19,20) FYEMGAFBYLDQQO-UHFFFAOYSA-N 33013 MLS000770965::N-[(2-keto-1H-benzo[cd]indol-6-yl)methyl]thiophene-2-carboxamide::N-[(2-oxidanylidene-1H-benzo[cd]indol-6-yl)methyl]thiophene-2-carboxamide::N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]-2-thiophenecarboxamide::N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]thiophene-2-carboxamide::SMR000375935::cid_696714 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33013&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 696714 252616146 ZINC00072105 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84196 COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 InChI=1S/C18H20N2O3/c1-12-8-13(2)10-16(9-12)20-17(21)11-19-15-6-4-14(5-7-15)18(22)23-3/h4-10,19H,11H2,1-3H3,(H,20,21) VVRCOESFERSGHT-UHFFFAOYSA-N 45720 4-[[2-(3,5-dimethylanilino)-2-keto-ethyl]amino]benzoic acid methyl ester::4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]benzoic acid methyl ester::MLS001005051::SMR000377892::cid_2339009::methyl 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]benzoate::methyl 4-[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45720&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2339009 252626313 ZINC03220397 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84197 COc1ccc(cc1)-n1c(O)cc(Nc2cccc(c2)[N+]([O-])=O)c1O InChI=1S/C17H15N3O5/c1-25-14-7-5-12(6-8-14)19-16(21)10-15(17(19)22)18-11-3-2-4-13(9-11)20(23)24/h2-10,18,21-22H,1H3 ZISBHCUPAXOKHI-UHFFFAOYSA-N 45721 1-(4-methoxyphenyl)-3-(3-nitroanilino)pyrrolidine-2,5-dione::1-(4-methoxyphenyl)-3-(3-nitroanilino)pyrrolidine-2,5-quinone::1-(4-methoxyphenyl)-3-[(3-nitrophenyl)amino]pyrrolidine-2,5-dione::MLS000770519::SMR000375870::cid_4276656 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45721&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896666 252626314 ZINC06230425 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84198 CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1 InChI=1S/C21H25N3O5S/c1-14-3-8-18(30-14)21(27)22-13-19(25)29-15(2)20(26)23-16-4-6-17(7-5-16)24-9-11-28-12-10-24/h3-8,15H,9-13H2,1-2H3,(H,22,27)(H,23,26) KSUFKQATAFTZBP-UHFFFAOYSA-N 33015 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester::2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester::MLS001005197::SMR000378055::[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate::[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate::cid_4876113 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33015&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4876113 252616148 ZINC03419696 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84199 COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s\c1=C(\C#N)C(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C27H27N3O6S/c1-17(2)36-22-8-5-4-7-19(22)15-23-25(32)30(13-6-14-35-3)26(37-23)21(16-28)24(31)29-20-11-9-18(10-12-20)27(33)34/h4-5,7-12,15,17H,6,13-14H2,1-3H3,(H,29,31)(H,33,34)/b23-15?,26-21- VCTMLEXFWZBHAH-GHJJQLCKSA-N 45722 4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxidanylidene-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]ethanoyl]amino]benzoic acid::4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoic acid::4-[[2-cyano-2-[3-(3-methoxypropyl)-4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-2-thiazolidinylidene]-1-oxoethyl]amino]benzoic acid::4-[[2-cyano-2-[5-(2-isopropoxybenzylidene)-4-keto-3-(3-methoxypropyl)thiazolidin-2-ylidene]acetyl]amino]benzoic acid::MLS000773381::SMR000364106::cid_4422601 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896667 252626315 ZINC61880697 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84200 Clc1cc(Cl)c(NNC(=O)c2n[nH]c(=O)c3ccccc23)c(Cl)c1 InChI=1S/C15H9Cl3N4O2/c16-7-5-10(17)13(11(18)6-7)20-22-15(24)12-8-3-1-2-4-9(8)14(23)21-19-12/h1-6,20H,(H,21,23)(H,22,24) IZVSJOKEMOEGPB-UHFFFAOYSA-N 45723 4-keto-N'-(2,4,6-trichlorophenyl)-3H-phthalazine-1-carbohydrazide::4-oxidanylidene-N'-[2,4,6-tris(chloranyl)phenyl]-3H-phthalazine-1-carbohydrazide::4-oxo-N'-(2,4,6-trichlorophenyl)-3H-phthalazine-1-carbohydrazide::MLS000773412::SMR000364121::cid_2457524 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45723&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2457524 252626316 ZINC13637250 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84201 OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 InChI=1S/C17H10ClNO4/c18-13-14(19-10-7-5-9(6-8-10)17(22)23)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,19H,(H,22,23) NSYKJANZYWVKGS-UHFFFAOYSA-N 45724 4-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid::4-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic acid::4-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]benzoic acid::4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid::4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid::MLS000806949::SMR000414744::cid_470952 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45724&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 470952 252626317 ZINC49573748 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84202 OC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 InChI=1S/C19H14FN3O5/c20-13-5-1-11(2-6-13)10-23-17(25)15(16(24)22-19(23)28)9-21-14-7-3-12(4-8-14)18(26)27/h1-9,21H,10H2,(H,26,27)(H,22,24,28) WTZGCJGEUGFEHH-UHFFFAOYSA-N 45725 4-[[(E)-[1-(4-fluorobenzyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]amino]benzoic acid::4-[[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid::4-[[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid::4-{[1-(4-Fluoro-benzyl)-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-amino}-benzoic acid::MLS000778442::SMR000415236::cid_6358462 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45725&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6358462 252626318 ZINC20290449 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84203 Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(CC1)C(=O)c1ccco1 InChI=1S/C20H22N4O3/c1-14-19(15-5-2-3-6-16(15)21-14)22-18(25)13-23-8-10-24(11-9-23)20(26)17-7-4-12-27-17/h2-7,12,21H,8-11,13H2,1H3,(H,22,25) JUCVXJCJKICIPV-UHFFFAOYSA-N 45726 2-[4-(2-furoyl)piperazino]-N-(2-methyl-1H-indol-3-yl)acetamide::2-[4-(Furan-2-carbonyl)-piperazin-1-yl]-N-(2-methyl-1H-indol-3-yl)-acetamide::2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-1H-indol-3-yl)acetamide::2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-(2-methyl-1H-indol-3-yl)ethanamide::2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-N-(2-methyl-1H-indol-3-yl)acetamide::MLS000768380::SMR000431701::cid_1918397 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45726&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1918397 252626319 ZINC36006788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84204 OCCn1c2ccccc2c2cc(ccc12)[N+]([O-])=O InChI=1S/C14H12N2O3/c17-8-7-15-13-4-2-1-3-11(13)12-9-10(16(18)19)5-6-14(12)15/h1-6,9,17H,7-8H2 FRRVCIIYVGIPQJ-UHFFFAOYSA-N 45727 2-(3-Nitro-carbazol-9-yl)-ethanol::2-(3-nitro-9-carbazolyl)ethanol::2-(3-nitrocarbazol-9-yl)ethanol::MLS001029694::SMR000427062::cid_1918739 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45727&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1918739 252626320 ZINC02298991 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84205 O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1 InChI=1S/C10H7N5O3/c16-8-4-7(15-10(14-8)11-5-12-15)13-9(17)6-2-1-3-18-6/h1-5H,(H,13,17)(H,11,12,14,16) DITGEVSMVKPCPJ-UHFFFAOYSA-N 45728 Furan-2-carboxylic acid (5-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amide::MLS000779111::N-(5-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-furamide::N-(5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide::N-(5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-furancarboxamide::N-(5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide::SMR000415816::cid_1977334 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1977334 252626321 ZINC09318695 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84206 Clc1ccc(CN2CCN(CC2)C2CC(=O)N(CCc3ccccc3)C2=O)cc1 InChI=1S/C23H26ClN3O2/c24-20-8-6-19(7-9-20)17-25-12-14-26(15-13-25)21-16-22(28)27(23(21)29)11-10-18-4-2-1-3-5-18/h1-9,21H,10-17H2 LAWQPMDPTDMMJH-UHFFFAOYSA-N 45729 3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-phenethyl-pyrrolidine-2,5-dione::3-[4-(4-chlorobenzyl)piperazino]-1-phenethyl-pyrrolidine-2,5-quinone::3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione::3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione::MLS001044481::SMR000424809::cid_3519428 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45729&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3519428 252626322 ZINC19372603 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84207 CC(C)C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O InChI=1S/C12H19N5O3/c1-6(2)4-9(13)11(19)17-14-5-8-7(3)15-12(20)16-10(8)18/h5-6,9H,4,13H2,1-3H3,(H,17,19)(H2,15,16,18,20)/t9-/m0/s1 RVTVSPNKORDQPQ-VIFPVBQESA-N 45730 (2S)-2-amino-4-methyl-N'-[(Z)-(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]pentanehydrazide;hydrochloride::(2S)-2-amino-4-methyl-N'-[(Z)-(4-methyl-2,6-dioxopyrimidin-5-ylidene)methyl]pentanehydrazide;hydrochloride::(2S)-2-amino-N'-[(Z)-(2,6-diketo-4-methyl-pyrimidin-5-ylidene)methyl]-4-methyl-valerohydrazide;hydrochloride::(2S)-2-azanyl-4-methyl-N'-[(Z)-[4-methyl-2,6-bis(oxidanylidene)pyrimidin-5-ylidene]methyl]pentanehydrazide;hydrochloride::(S)-2-Amino-4-methyl-pentanoic acid [1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-meth-(E)-ylidene]-hydrazide::MLS000778747::SMR000415525::cid_16682716 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45730&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16682717 252626323 ZINC15952511 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84208 CCC(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 InChI=1S/C20H24N4O4/c1-4-17(25)24-11-20(10-16(24)18(21)26)9-15(23-28-20)13-6-5-7-14(8-13)22-19(27)12(2)3/h5-8,16H,2,4,9-11H2,1,3H3,(H2,21,26)(H,22,27)/t16-,20?/m1/s1 YTDDFCANVWCPRB-QRIPLOBPSA-N 45731 (8R)-3-(3-methacrylamidophenyl)-7-propionyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-propanoyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-7-(1-oxopropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::MLS000561974::SMR000390647::cid_16745481 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45731&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16745481 252626324 ZINC13478665 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84209 Fc1cccc(Cl)c1C(=O)NNc1cc(Cl)ccc1Cl InChI=1S/C13H8Cl3FN2O/c14-7-4-5-8(15)11(6-7)18-19-13(20)12-9(16)2-1-3-10(12)17/h1-6,18H,(H,19,20) MSRYJJRXVYYSKE-UHFFFAOYSA-N 45732 2-chloro-N'-(2,5-dichlorophenyl)-6-fluorobenzohydrazide::2-chloro-N'-(2,5-dichlorophenyl)-6-fluoro-benzohydrazide::2-chloro-N'-(2,5-dichlorophenyl)-6-fluorobenzohydrazide::MLS000830793::N'-[2,5-bis(chloranyl)phenyl]-2-chloranyl-6-fluoranyl-benzohydrazide::SMR000458214::cid_2810933 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45732&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2810933 252626325 ZINC00146614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84210 O=C(NCc1ccco1)c1ccc2OCCc2c1 InChI=1S/C14H13NO3/c16-14(15-9-12-2-1-6-17-12)11-3-4-13-10(8-11)5-7-18-13/h1-4,6,8H,5,7,9H2,(H,15,16) XNWAMFICMGJADL-UHFFFAOYSA-N 45733 MLS000830806::N-(2-furanylmethyl)-2,3-dihydrobenzofuran-5-carboxamide::N-(2-furfuryl)coumaran-5-carboxamide::N-(2-furylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide::N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide::SMR000458227::cid_2810990 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45733&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2810990 252626326 ZINC04324796 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84211 Cc1ccc(cc1)C(=O)NCCN1CCNC1=O InChI=1S/C13H17N3O2/c1-10-2-4-11(5-3-10)12(17)14-6-8-16-9-7-15-13(16)18/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18) ONFCNHRVFSKUIR-UHFFFAOYSA-N 45734 4-methyl-N-[2-(2-oxidanylideneimidazolidin-1-yl)ethyl]benzamide::4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide::4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide::MLS000830775::N-[2-(2-ketoimidazolidin-1-yl)ethyl]-4-methyl-benzamide::SMR000458196::cid_2810721 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45734&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2810721 252626327 ZINC00146329 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84212 Cc1ccc(cc1)S(=O)(=O)CCN1CCN=C(C=C1)C(F)(F)F InChI=1S/C15H17F3N2O2S/c1-12-2-4-13(5-3-12)23(21,22)11-10-20-8-6-14(15(16,17)18)19-7-9-20/h2-6,8H,7,9-11H2,1H3 CKOJKUOVUDKDDH-UHFFFAOYSA-N 45735 1-(2-tosylethyl)-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine::1-[2-(4-methylphenyl)sulfonylethyl]-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine::1-{2-[(4-methylphenyl)sulfonyl]ethyl}-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine::MLS000830771::SMR000458192::cid_2810704 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45735&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2810704 252626328 ZINC19834774 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84213 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N(Cc1cccs1)Cc1ccccc1 InChI=1S/C23H20ClN3OS/c1-17-22(14-25-27(17)20-11-9-19(24)10-12-20)23(28)26(16-21-8-5-13-29-21)15-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3 ZNQUQWGFIOFWNM-UHFFFAOYSA-N 45736 1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide::1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide::MLS000830761::N-benzyl-1-(4-chlorophenyl)-5-methyl-N-(2-thenyl)pyrazole-4-carboxamide::N-benzyl-1-(4-chlorophenyl)-5-methyl-N-(2-thienylmethyl)-1H-pyrazole-4-carboxamide::N-benzyl-1-(4-chlorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide::SMR000458182::cid_2810624 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45736&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2810624 252626329 ZINC01030237 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84214 OC(=O)CC1(CC(=O)NCc2ccncc2)CCCCC1 InChI=1S/C16H22N2O3/c19-14(18-12-13-4-8-17-9-5-13)10-16(11-15(20)21)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,19)(H,20,21) WEPDJJVYPSJSOS-UHFFFAOYSA-N 45737 2-(1-{2-oxo-2-[(4-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid::2-[1-[2-keto-2-(4-pyridylmethylamino)ethyl]cyclohexyl]acetic acid::2-[1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]ethanoic acid::2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid::MLS000850847::SMR000456864::cid_2738272 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45737&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2738272 252626330 ZINC00129634 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84215 COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1 InChI=1S/C21H21NO3S/c1-24-18-9-5-16(6-10-18)14-22(21(23)20-4-3-13-26-20)15-17-7-11-19(25-2)12-8-17/h3-13H,14-15H2,1-2H3 UIPKGYJCFIYFAO-UHFFFAOYSA-N 33032 MLS000860276::N,N-bis(p-anisyl)thiophene-2-carboxamide::N,N-bis[(4-methoxyphenyl)methyl]-2-thiophenecarboxamide::N,N-bis[(4-methoxyphenyl)methyl]thiophene-2-carboxamide::N2,N2-di(4-methoxybenzyl)thiophene-2-carboxamide::SMR000461055::cid_2741087 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33032&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2741087 252616164 ZINC01043848 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84216 Cc1onc(c1-c1nnc(o1)-c1ccc(cc1)C(F)(F)F)-c1c(F)cccc1Cl InChI=1S/C19H10ClF4N3O2/c1-9-14(16(27-29-9)15-12(20)3-2-4-13(15)21)18-26-25-17(28-18)10-5-7-11(8-6-10)19(22,23)24/h2-8H,1H3 OAKGFSAPWOUFRC-UHFFFAOYSA-N 45738 2-[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole::2-[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole::2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole::2-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole::MLS000858711::SMR000458790::cid_2814981 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45738&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2814981 252626331 ZINC01034543 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84217 C1CCN(CC1)c1ccccc1-n1cccc1 InChI=1S/C15H18N2/c1-4-10-16(11-5-1)14-8-2-3-9-15(14)17-12-6-7-13-17/h2-3,6-9,12-13H,1,4-5,10-11H2 CHQZRMQJHWTVIQ-UHFFFAOYSA-N 45739 1-(2-pyrrol-1-ylphenyl)piperidine::1-[2-(1-pyrrolyl)phenyl]piperidine::1-[2-(1H-pyrrol-1-yl)phenyl]piperidine::MLS000858687::SMR000458766::cid_2814657 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45739&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2814657 252626332 ZINC00156167 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84218 COc1cccc2sc(N=CN(C)C)nc12 InChI=1S/C11H13N3OS/c1-14(2)7-12-11-13-10-8(15-3)5-4-6-9(10)16-11/h4-7H,1-3H3 YNTJTPGXKRNCHF-UHFFFAOYSA-N 45740 MLS000833668::N'-(4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethyliminoformamide::N'-(4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethyl-formamidine::N'-(4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethyl-methanimidamide::N'-(4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide::SMR000457189::cid_2798785 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45740&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9582988 252626333 ZINC20414589 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84219 CN(NC1OC(=O)c2ccccc12)c1ncc(Cl)cc1C(F)(F)F InChI=1S/C15H11ClF3N3O2/c1-22(12-11(15(17,18)19)6-8(16)7-20-12)21-13-9-4-2-3-5-10(9)14(23)24-13/h2-7,13,21H,1H3 SVKWQENPNZQJRS-UHFFFAOYSA-N 45741 3-[2-[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]-2-methyl-hydrazinyl]-3H-2-benzofuran-1-one::3-[2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazinyl]-3H-isobenzofuran-1-one::3-[2-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-2-methylhydrazinyl]-3H-2-benzofuran-1-one::3-[N'-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-N'-methyl-hydrazino]phthalide::3-{2-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-2-methylhydrazino}-1,3-dihydroisobenzofuran-1-one::MLS000860148::SMR000460927::cid_2739691 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45741&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2739691 252626334 ZINC01039440 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84220 COc1cccc(NC(=S)Nc2ccc(Br)cc2Cl)c1 InChI=1S/C14H12BrClN2OS/c1-19-11-4-2-3-10(8-11)17-14(20)18-13-6-5-9(15)7-12(13)16/h2-8H,1H3,(H2,17,18,20) USVKMDPDCLYHPK-UHFFFAOYSA-N 33948 1-(4-bromanyl-2-chloranyl-phenyl)-3-(3-methoxyphenyl)thiourea::1-(4-bromo-2-chloro-phenyl)-3-(3-methoxyphenyl)thiourea::1-(4-bromo-2-chlorophenyl)-3-(3-methoxyphenyl)thiourea::MLS000851206::N-(4-bromo-2-chlorophenyl)-N'-(3-methoxyphenyl)thiourea::SMR000457449::cid_2803097 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33948&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2803097 252616845 ZINC13657965 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84221 Cc1ccc(cc1)S(=O)(=O)Nc1cccnc1Oc1ccc(Cl)cc1 InChI=1S/C18H15ClN2O3S/c1-13-4-10-16(11-5-13)25(22,23)21-17-3-2-12-20-18(17)24-15-8-6-14(19)7-9-15/h2-12,21H,1H3 DFDFJKHZEXROIV-UHFFFAOYSA-N 33949 MLS000850724::N-[2-(4-chloranylphenoxy)pyridin-3-yl]-4-methyl-benzenesulfonamide::N-[2-(4-chlorophenoxy)-3-pyridinyl]-4-methylbenzenesulfonamide::N-[2-(4-chlorophenoxy)-3-pyridyl]-4-methyl-benzenesulfonamide::N-[2-(4-chlorophenoxy)pyridin-3-yl]-4-methylbenzenesulfonamide::SMR000456741::cid_2728373 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33949&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2728373 252616846 ZINC01043435 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84222 CC(C)(C)C(=O)N1N=C(Nc2ccccc2)SC1(C)C InChI=1S/C15H21N3OS/c1-14(2,3)12(19)18-15(4,5)20-13(17-18)16-11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,17) OICNYDIYRIZPPR-UHFFFAOYSA-N 45742 1-(2,2-dimethyl-5-phenylazanyl-1,3,4-thiadiazol-3-yl)-2,2-dimethyl-propan-1-one::1-(5-anilino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-2,2-dimethyl-1-propanone::1-(5-anilino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-2,2-dimethyl-propan-1-one::1-(5-anilino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one::1-(5-anilino-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one::MLS000861887::SMR000460671::cid_2732978 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45742&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2732978 252626335 ZINC02157109 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84223 COc1ccccc1CC(=O)NCc1csc(n1)-c1cccs1 InChI=1S/C17H16N2O2S2/c1-21-14-6-3-2-5-12(14)9-16(20)18-10-13-11-23-17(19-13)15-7-4-8-22-15/h2-8,11H,9-10H2,1H3,(H,18,20) HGDLUUABXYNYJN-UHFFFAOYSA-N 33034 2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide::2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamide::2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-4-thiazolyl)methyl]acetamide::2-(2-methoxyphenyl)-N-[[2-(2-thienyl)thiazol-4-yl]methyl]acetamide::2-(2-methoxyphenyl)-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}acetamide::MLS000859819::SMR000460798::cid_2738815 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33034&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2738815 252616165 ZINC04389378 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84224 Cc1cc(=O)n2COCSc2n1 InChI=1S/C7H8N2O2S/c1-5-2-6(10)9-3-11-4-12-7(9)8-5/h2H,3-4H2,1H3 YCQNUDLIFJZIKT-UHFFFAOYSA-N 45743 8-methyl-4H-pyrimido[2,1-d][1,3,5]oxathiazin-6-one::8-methyl-6H-pyrimido[2,1-d][1,3,5]oxathiazin-6-one::MLS000861883::SMR000460667::cid_2732927 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45743&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2732927 252626336 ZINC00103391 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84225 CN1CCN(CC1)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 InChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19-8-4-16(5-9-19)14-21-26(24,25)15-17-2-6-18(20)7-3-17/h2-9,21H,10-15H2,1H3 SZXYLQCFPUYUFG-UHFFFAOYSA-N 45744 1-(4-chlorophenyl)-N-[4-(4-methylpiperazino)benzyl]methanesulfonamide::1-(4-chlorophenyl)-N-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]methanesulfonamide::1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide::MLS000850880::SMR000456897::cid_2738598 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45744&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2738598 252626337 ZINC04362639 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84226 CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(O)=O)cn2)cc1 InChI=1S/C20H24N2O4/c1-20(2,3)14-7-10-16(11-8-14)26-18-12-9-15(13-21-18)22-17(23)5-4-6-19(24)25/h7-13H,4-6H2,1-3H3,(H,22,23)(H,24,25) RGQLCMDSTXSTHF-UHFFFAOYSA-N 45745 5-({6-[4-(tert-butyl)phenoxy]-3-pyridinyl}amino)-5-oxopentanoic acid::5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid::5-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-5-keto-valeric acid::5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-5-oxidanylidene-pentanoic acid::5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-5-oxopentanoic acid::MLS000850396::SMR000456414::cid_2814284 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45745&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2814284 252626338 ZINC01034050 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84227 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1csnn1 InChI=1S/C14H11N3O2S2/c18-21(19,16-12-4-2-1-3-5-12)13-8-6-11(7-9-13)14-10-20-17-15-14/h1-10,16H UDPHMTKYLQXQSV-UHFFFAOYSA-N 45746 MLS000850399::N-phenyl-4-(1,2,3-thiadiazol-4-yl)benzenesulfonamide::N-phenyl-4-(4-thiadiazolyl)benzenesulfonamide::N-phenyl-4-(thiadiazol-4-yl)benzenesulfonamide::SMR000456417::cid_2814333 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45746&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2814333 252626339 ZINC00155639 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84228 NS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1 InChI=1S/C11H10ClN3O3S2/c12-9-5-6-19-10(9)11(16)15-14-7-1-3-8(4-2-7)20(13,17)18/h1-6,14H,(H,15,16)(H2,13,17,18) FXEHYORUAWPJNZ-UHFFFAOYSA-N 45747 4-[2-(3-chloranylthiophen-2-yl)carbonylhydrazinyl]benzenesulfonamide::4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide::4-[N'-(3-chlorothiophene-2-carbonyl)hydrazino]benzenesulfonamide::4-[[(3-chloro-2-thiophenyl)-oxomethyl]hydrazo]benzenesulfonamide::4-{2-[(3-chloro-2-thienyl)carbonyl]hydrazino}benzenesulfonamide::MLS000850202::SMR000456220::cid_2811807 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45747&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2811807 252626340 ZINC00148279 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84229 COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 InChI=1S/C18H18N4O2S/c1-10-8-11(2)21-18-14(10)15(19)16(25-18)17(23)22-20-9-12-4-6-13(24-3)7-5-12/h4-9H,19H2,1-3H3,(H,22,23) JDBVPCOXRNSLLB-UHFFFAOYSA-N 33951 3-amino-4,6-dimethyl-N-(p-anisylideneamino)thieno[2,3-b]pyridine-2-carboxamide::3-amino-N'-[(4-methoxyphenyl)methylene]-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide::3-amino-N-[(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide::3-amino-N-[(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide::3-azanyl-N-[(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide::MLS000858873::SMR000458952::cid_2816077 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33951&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9583963 252616848 ZINC12340722 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84230 COC(C[C@H](O)C[C@@H](O)[C@H](C)OCc1ccccc1)OC InChI=1S/C16H26O5/c1-12(21-11-13-7-5-4-6-8-13)15(18)9-14(17)10-16(19-2)20-3/h4-8,12,14-18H,9-11H2,1-3H3/t12-,14+,15+/m0/s1 WFBQEQDZCXOJBE-NWANDNLSSA-N 45748 (+)-(3R,5R,6S)-6-Benzyloxy-1,1-dimethoxy-heptane-3,5-diol::(3R,5R,6S)-1,1-dimethoxy-6-phenylmethoxy-heptane-3,5-diol::(3R,5R,6S)-1,1-dimethoxy-6-phenylmethoxyheptane-3,5-diol::(3R,5R,6S)-6-benzoxy-1,1-dimethoxy-heptane-3,5-diol::MLS000517646::SMR000462464::cid_16745976 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45748&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16745976 252626341 ZINC13879098 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83582 Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C InChI=1S/C15H18N6OS2/c1-9-10(2)24-14(12(9)7-16)17-13(22)8-23-15-18-19-20-21(15)11-5-3-4-6-11/h11H,3-6,8H2,1-2H3,(H,17,22) IWBIXXVPFAVKEO-UHFFFAOYSA-N 45287 MLS000068092::N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide::N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(1-cyclopentyltetrazol-5-yl)thio]acetamide::N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(1-cyclopentyl-5-tetrazolyl)thio]acetamide::N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide::N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide::SMR000008178::cid_644712 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45287&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644712 252625889 ZINC04968061 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83583 O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1 InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18) GCLLSWDNUPEMDW-UHFFFAOYSA-N 50262664 CHEMBL504598::N-(5-benzylthiazol-2-yl)thiophene-2-carboxamide::cid_644846 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262664&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644846 104111271 CHEMBL504598 ZINC00272107 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83584 CN1CCN(CC1)c1nc2c(C)cc(C)cc2cc1C#N InChI=1S/C17H20N4/c1-12-8-13(2)16-14(9-12)10-15(11-18)17(19-16)21-6-4-20(3)5-7-21/h8-10H,4-7H2,1-3H3 RBMMHDHXQQMEMH-UHFFFAOYSA-N 45288 6,8-Dimethyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile::6,8-dimethyl-2-(4-methyl-1-piperazinyl)-3-quinolinecarbonitrile::6,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile::6,8-dimethyl-2-(4-methylpiperazino)quinoline-3-carbonitrile::MLS000029177::SMR000001736::cid_644966 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45288&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644966 252625890 ZINC19096814 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83585 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1 InChI=1S/C22H27N3O6S2/c1-18(26)19-5-7-20(8-6-19)23-9-11-24(12-10-23)32(27,28)21-3-2-4-22(17-21)33(29,30)25-13-15-31-16-14-25/h2-8,17H,9-16H2,1H3 UZYRITPJTJTRGM-UHFFFAOYSA-N 45289 1-(4-{4-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-piperazin-1-yl}-phenyl)-ethanone::1-[4-[4-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone::1-[4-[4-(3-morpholinosulfonylphenyl)sulfonylpiperazino]phenyl]ethanone::1-[4-[4-[3-(4-morpholinylsulfonyl)phenyl]sulfonyl-1-piperazinyl]phenyl]ethanone::MLS000076070::SMR000005883::cid_644974 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45289&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 644974 252625891 ZINC01362895 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83586 Cc1cc(C)n(n1)-c1nnc(C)n1NS(=O)(=O)c1ccc(F)cc1 InChI=1S/C14H15FN6O2S/c1-9-8-10(2)20(18-9)14-17-16-11(3)21(14)19-24(22,23)13-6-4-12(15)5-7-13/h4-8,19H,1-3H3 UBYPQIFSDSVRIE-UHFFFAOYSA-N 45290 MLS000035728::N-[3-(3,5-Dimethyl-pyrazol-1-yl)-5-methyl-[1,2,4]triazol-4-yl]-4-fluoro-benzenesulfonamide::N-[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]-4-fluorobenzenesulfonamide::N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-fluoranyl-benzenesulfonamide::N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-fluoro-benzenesulfonamide::N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-fluorobenzenesulfonamide::SMR000011826::cid_645296 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45290&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 645296 252625892 ZINC00892966 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83587 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nn1cnnc1 InChI=1S/C14H17N5O4S/c1-23-11-4-6-12(7-5-11)24(21,22)19-8-2-3-13(19)14(20)17-18-9-15-16-10-18/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,20) CRQUHORTLCPXOF-UHFFFAOYSA-N 45291 1-(4-Methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid [1,2,4]triazol-4-ylamide::1-(4-methoxyphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-2-pyrrolidinecarboxamide::1-(4-methoxyphenyl)sulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide::MLS000034966::SMR000014068::cid_645451 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45291&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 645451 252625893 ZINC00804441 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83588 CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc12 InChI=1S/C22H27N3O3/c1-4-16-9-8-10-17(5-2)22(16)25(15-28-3)21(27)13-24-19-12-7-6-11-18(19)23-20(24)14-26/h6-12,26H,4-5,13-15H2,1-3H3 VTAUMGDVQHDJBL-UHFFFAOYSA-N 45292 MLS000070157::N-(2,6-Diethyl-phenyl)-2-(2-hydroxymethyl-benzoimidazol-1-yl)-N-methoxymethyl-acetamide::N-(2,6-diethylphenyl)-2-[2-(hydroxymethyl)-1-benzimidazolyl]-N-(methoxymethyl)acetamide::N-(2,6-diethylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(methoxymethyl)acetamide::N-(2,6-diethylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(methoxymethyl)ethanamide::N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-(2-methylolbenzimidazol-1-yl)acetamide::SMR000010414::cid_645478 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45292&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 645478 252625894 ZINC00857495 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83589 Clc1coc2cc(OC(=O)c3ccncc3)ccc2c1=O InChI=1S/C15H8ClNO4/c16-12-8-20-13-7-10(1-2-11(13)14(12)18)21-15(19)9-3-5-17-6-4-9/h1-8H JSMBBGQYEKUUJF-UHFFFAOYSA-N 32754 (3-chloranyl-4-oxidanylidene-chromen-7-yl) pyridine-4-carboxylate::(3-chloro-4-oxochromen-7-yl) pyridine-4-carboxylate::4-pyridinecarboxylic acid (3-chloro-4-oxo-1-benzopyran-7-yl) ester::Isonicotinic acid 3-chloro-4-oxo-4H-chromen-7-yl ester::MLS000076033::SMR000014947::cid_645682::isonicotinic acid (3-chloro-4-keto-chromen-7-yl) ester Coagulation factor XII 18005.86333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32754&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 645682 252615890 ZINC00149777 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83590 O=S(=O)(N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1 InChI=1S/C16H24N2O4S2/c19-23(20,17-11-3-1-2-4-12-17)15-7-9-16(10-8-15)24(21,22)18-13-5-6-14-18/h7-10H,1-6,11-14H2 IJDOYIHEQCCWFV-UHFFFAOYSA-N 45293 1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylazepane::1-(4-pyrrolidinosulfonylphenyl)sulfonylazepane::1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylazepane::1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-azepane::MLS000068718::SMR000003091::cid_646007 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45293&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 646007 252625895 ZINC00921114 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83591 CC1(C)CC(CC(C)(C)N1)NCc1cccnc1 InChI=1S/C15H25N3/c1-14(2)8-13(9-15(3,4)18-14)17-11-12-6-5-7-16-10-12/h5-7,10,13,17-18H,8-9,11H2,1-4H3 XOAGOZCLOXAUSV-UHFFFAOYSA-N 45294 2,2,6,6-tetramethyl-N-(3-pyridinylmethyl)-4-piperidinamine::2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine::3-pyridylmethyl-(2,2,6,6-tetramethyl-4-piperidyl)amine::MLS000068088::Pyridin-3-ylmethyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine::SMR000013614::cid_646877 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45294&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 646877 252625896 ZINC19461072 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83592 CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1 InChI=1S/C21H24N4O5S/c1-4-29-20(27)15-6-5-7-16(12-15)22-18(26)13-31-21-24-23-19(25(21)9-11-28-3)17-8-10-30-14(17)2/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,22,26) PHNOCXSQCQJILS-UHFFFAOYSA-N 45295 3-[[2-[[4-(2-methoxyethyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester::3-[[2-[[4-(2-methoxyethyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester::3-{2-[4-(2-Methoxy-ethyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid ethyl ester::MLS000031892::SMR000005702::cid_647110::ethyl 3-[2-[[4-(2-methoxyethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate::ethyl 3-[[2-[[4-(2-methoxyethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45295&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 647110 252625897 ZINC06550778 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83593 COC(=O)c1nnc(NC(C)=O)[nH]1 InChI=1S/C6H8N4O3/c1-3(11)7-6-8-4(9-10-6)5(12)13-2/h1-2H3,(H2,7,8,9,10,11) BQKSBCYRDTWIPR-UHFFFAOYSA-N 45296 3-acetamido-1H-1,2,4-triazole-5-carboxylic acid methyl ester::5-Acetylamino-1H-[1,2,4]triazole-3-carboxylic acid methyl ester::MLS000035750::SMR000001078::cid_647229::methyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 12229.39333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45296&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 647229 252625898 ZINC13116607 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83594 Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1 InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2 YHILZMQMDKTBFN-UHFFFAOYSA-N 32756 2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester::CHEMBL245265::Furan-2-carboxylic acid 5-amino-1-(4-fluoro-benzenesulfonyl)-1H-pyrazol-3-yl ester::MLS000033900::SMR000014918::US11584714, Compound 44#::[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_647599::furan-2-carboxylic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester Coagulation factor XII 12031.57667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32756&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 647599 252615892 CHEMBL245265 ZINC00812583 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83595 Cn1c(SCC(N)=O)ncc1-c1ccccc1 InChI=1S/C12H13N3OS/c1-15-10(9-5-3-2-4-6-9)7-14-12(15)17-8-11(13)16/h2-7H,8H2,1H3,(H2,13,16) RYELLTXRTGYLJR-UHFFFAOYSA-N 45297 2-(1-Methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide::2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanamide::2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide::2-[(1-methyl-5-phenyl-2-imidazolyl)thio]acetamide::2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetamide::MLS000029114::SMR000001932::cid_647633 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45297&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 647633 252625899 ZINC00420757 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83596 O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1 InChI=1S/C23H19NO8/c25-19(15-5-7-17(8-6-15)32-23(28)20-4-2-10-30-20)14-31-22(27)16-11-21(26)24(12-16)13-18-3-1-9-29-18/h1-10,16H,11-14H2 DOOUQJWJCXODNY-UHFFFAOYSA-N 45298 1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[4-[2-furanyl(oxo)methoxy]phenyl]-2-oxoethyl] ester::1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid [2-[4-(2-furoyloxy)phenyl]-2-keto-ethyl] ester::1-Furan-2-ylmethyl-5-oxo-pyrrolidine-3-carboxylic acid 2-[4-(furan-2-carbonyloxy)-phenyl]-2-oxo-ethyl ester::MLS000076430::SMR000015232::[2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate::[2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate::cid_648230 Coagulation factor XII 13316.78667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45298&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 648230 252625900 ZINC00818380 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83597 O=C1N(C(=O)c2ncccc12)c1cccc(c1)-c1nc2ccccc2o1 InChI=1S/C20H11N3O3/c24-19-14-7-4-10-21-17(14)20(25)23(19)13-6-3-5-12(11-13)18-22-15-8-1-2-9-16(15)26-18/h1-11H DJJHOAXPBRBBGN-UHFFFAOYSA-N 45299 6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione::6-[3-(1,3-benzoxazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione::6-[3-(1,3-benzoxazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-quinone::MLS000028243::SMR000009533::cid_649463 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45299&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 649463 252625901 ZINC00077428 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83598 Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1 InChI=1S/C15H14N2O/c1-9-3-4-10(2)12(7-9)15-17-13-8-11(16)5-6-14(13)18-15/h3-8H,16H2,1-2H3 MIEJFZAQVLWYJH-UHFFFAOYSA-N 38276 2-(2,5-Dimethyl-phenyl)-benzooxazol-5-ylamine::2-(2,5-dimethylphenyl)-1,3-benzoxazol-5-amine::MLS000076411::SMR000012342::[2-(2,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amine::cid_649840 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38276&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 649840 252619195 ZINC00912031 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83599 CCOC(=O)c1cc2sccc2n1CC(=O)N1C(C)Cc2ccccc12 InChI=1S/C20H20N2O3S/c1-3-25-20(24)17-11-18-16(8-9-26-18)21(17)12-19(23)22-13(2)10-14-6-4-5-7-15(14)22/h4-9,11,13H,3,10,12H2,1-2H3 RUTPMPRKXUCPQD-UHFFFAOYSA-N 45300 4-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester::4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester::4-[2-keto-2-(2-methylindolin-1-yl)ethyl]thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester::MLS000033915::SMR000008304::cid_650283::ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-5-carboxylate::ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45300&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650283 252625902 ZINC01338140 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83600 CCc1c(C)nc2ncnn2c1N1CCC(CC1)C(=O)Nc1ccccc1 InChI=1S/C20H24N6O/c1-3-17-14(2)23-20-21-13-22-26(20)19(17)25-11-9-15(10-12-25)18(27)24-16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,24,27) VCQJSGVAQYDNKO-UHFFFAOYSA-N 45301 1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid phenylamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-4-piperidinecarboxamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-isonipecotamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenyl-piperidine-4-carboxamide::1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-phenylpiperidine-4-carboxamide::MLS000068022::SMR000007708::cid_650397 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45301&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650397 252625903 ZINC04400026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83601 CCOc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(C)CC1)c1nnnn1C1CCCCC1 InChI=1S/C24H33N7O2/c1-3-33-19-9-10-21-17(15-19)16-20(24(32)25-21)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15-16,18,22H,3-8,11-14H2,1-2H3,(H,25,32) RMVAFOBUZYIDQF-UHFFFAOYSA-N 45302 3-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-6-ethoxy-1H-quinolin-2-one::3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one::3-[(1-cyclohexyl-5-tetrazolyl)-(4-methyl-1-piperazinyl)methyl]-6-ethoxy-1H-quinolin-2-one::3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one::3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazino)methyl]-6-ethoxy-carbostyril::MLS000029956::SMR000002473::cid_650600 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45302&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650600 252625904 ZINC19940357 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83602 Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O InChI=1S/C7H9N5O3S/c1-4-5(11-16(2,14)15)6(13)12-7(10-4)8-3-9-12/h3,11H,1-2H3,(H,8,9,10) LJNDVVAXJUQLQO-UHFFFAOYSA-N 45303 MLS000034291::N-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanesulfonamide::N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanesulfonamide::N-(7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-methanesulfonamide::N-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanesulfonamide::SMR000013574::cid_650629 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45303&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650629 252625905 ZINC08575829 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83603 Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1 InChI=1S/C23H27N7/c1-18-24-21-9-5-6-10-22(21)30(18)20-12-14-28(15-13-20)17-23-25-26-27-29(23)16-11-19-7-3-2-4-8-19/h2-10,20H,11-17H2,1H3 RCCZRXLNBCHYCR-UHFFFAOYSA-N 45304 2-Methyl-1-[1-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-1H-benzoimidazole::2-methyl-1-[1-[(1-phenethyltetrazol-5-yl)methyl]-4-piperidyl]benzimidazole;hydrochloride::2-methyl-1-[1-[[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-4-yl]benzimidazole;hydrochloride::2-methyl-1-[1-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-piperidinyl]benzimidazole;hydrochloride::2-methyl-1-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzimidazole;hydrochloride::MLS000035269::SMR000006447::cid_6602640 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45304&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650661 252625906 ZINC01371003 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83604 CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1 InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3 HAPFPNSMGAADOQ-UHFFFAOYSA-N 32758 1,3-Bis-(furan-2-carbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester::1,3-bis(2-furoyl)-2-keto-5-methyl-4-imidazoline-4-carboxylic acid ethyl ester::1,3-bis[2-furanyl(oxo)methyl]-5-methyl-2-oxo-4-imidazolecarboxylic acid ethyl ester::MLS000069038::SMR000010623::cid_650772::ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate::ethyl 1,3-bis(furan-2-ylcarbonyl)-5-methyl-2-oxidanylidene-imidazole-4-carboxylate Coagulation factor XII 8283.93 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32758&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 650772 252615894 ZINC01446265 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83605 Cc1ccn(CC(O)=O)c(=O)c1 InChI=1S/C8H9NO3/c1-6-2-3-9(5-8(11)12)7(10)4-6/h2-4H,5H2,1H3,(H,11,12) TTYWNTQPYNNGLJ-UHFFFAOYSA-N 45305 (4-Methyl-2-oxo-2H-pyridin-1-yl)-acetic acid::2-(2-keto-4-methyl-1-pyridyl)acetic acid::2-(4-methyl-2-oxidanylidene-pyridin-1-yl)ethanoic acid::2-(4-methyl-2-oxo-1-pyridinyl)acetic acid::2-(4-methyl-2-oxopyridin-1-yl)acetic acid::MLS000027227::SMR000015315::cid_651661 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45305&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651661 252625907 ZINC04388768 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83606 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3 RBMBACCNCLXNAF-UHFFFAOYSA-N 32665 2-furancarboxylic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::CHEMBL387812::Furan-2-carboxylic acid 5-amino-1-(toluene-4-sulfonyl)-1H-pyrazol-3-yl ester::MLS000033865::SMR000014913::US11584714, Compound 39#::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_651936::furan-2-carboxylic acid (5-amino-1-tosyl-pyrazol-3-yl) ester Coagulation factor XII 16058.26667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32665&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 651936 252615803 CHEMBL387812 ZINC00812571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83607 Cc1ccc2oc(NC(=O)N3CCOCC3)cc(=O)c2c1 InChI=1S/C15H16N2O4/c1-10-2-3-13-11(8-10)12(18)9-14(21-13)16-15(19)17-4-6-20-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,16,19) QMEPDSFNMOSZLK-UHFFFAOYSA-N 45306 MLS000034903::Morpholine-4-carboxylic acid (6-methyl-4-oxo-4H-chromen-2-yl)-amide::N-(4-keto-6-methyl-chromen-2-yl)morpholine-4-carboxamide::N-(6-methyl-4-oxidanylidene-chromen-2-yl)morpholine-4-carboxamide::N-(6-methyl-4-oxo-1-benzopyran-2-yl)-4-morpholinecarboxamide::N-(6-methyl-4-oxochromen-2-yl)morpholine-4-carboxamide::SMR000014189::cid_652192 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45306&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 652192 252625908 ZINC00027907 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83608 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N InChI=1S/C15H13N3O6S/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)24-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3 VKPLBOPLYIVTRL-UHFFFAOYSA-N 32761 2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester::Furan-2-carboxylic acid 5-amino-1-(4-methoxy-benzenesulfonyl)-1H-pyrazol-3-yl ester::MLS000033887::SMR000014916::US11584714, Compound 40#::[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate::[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] furan-2-carboxylate::cid_653862::furan-2-carboxylic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Coagulation factor XII 7749.133333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32761&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 653862 252615897 ZINC00812578 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83609 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC1 InChI=1S/C23H29N3O4S/c1-30-21-10-8-20(9-11-21)25-14-16-26(17-15-25)31(28,29)22-12-6-18(7-13-22)23(27)24-19-4-2-3-5-19/h6-13,19H,2-5,14-17H2,1H3,(H,24,27) TYPPIJPVDZFTQR-UHFFFAOYSA-N 45307 MLS000076110::N-Cyclopentyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide::N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzamide::N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide::N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazino]sulfonyl-benzamide::N-cyclopentyl-4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzamide::SMR000003936::cid_653901 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45307&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 653901 252625909 ZINC04092462 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83610 CCNc1ccc2c(Cl)cc(=O)oc2c1 InChI=1S/C11H10ClNO2/c1-2-13-7-3-4-8-9(12)6-11(14)15-10(8)5-7/h3-6,13H,2H2,1H3 OHVFDYQBAHVHMB-UHFFFAOYSA-N 45308 4-Chloro-7-ethylamino-chromen-2-one::4-chloranyl-7-(ethylamino)chromen-2-one::4-chloro-7-(ethylamino)-1-benzopyran-2-one::4-chloro-7-(ethylamino)chromen-2-one::4-chloro-7-(ethylamino)coumarin::MLS000028188::SMR000008607::cid_653949 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45308&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 653949 252625910 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83611 Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)Cc3nnnn3C3CCCCC3)cc12 InChI=1S/C25H34N6O2/c1-17-10-11-18(2)24-22(17)13-19(25(32)26-24)14-30(15-21-9-6-12-33-21)16-23-27-28-29-31(23)20-7-4-3-5-8-20/h10-11,13,20-21H,3-9,12,14-16H2,1-2H3,(H,26,32) PNVUPSJQVJOYGR-UHFFFAOYSA-N 45309 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyl-5-tetrazolyl)methyl-(2-oxolanylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyltetrazol-5-yl)methyl-(tetrahydrofurfuryl)amino]methyl]-5,8-dimethyl-carbostyril::3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,8-dimethyl-1H-quinolin-2-one::MLS000071655::SMR000003206::cid_654209 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45309&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 654209 252625911 ZINC19134674 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83612 CC1(C)Oc2ccc(cc2N(CC(=O)NC2CCCC2)C1=O)C(=O)NC1CCCC1 InChI=1S/C23H31N3O4/c1-23(2)22(29)26(14-20(27)24-16-7-3-4-8-16)18-13-15(11-12-19(18)30-23)21(28)25-17-9-5-6-10-17/h11-13,16-17H,3-10,14H2,1-2H3,(H,24,27)(H,25,28) GBPCHJUYHGWGEL-UHFFFAOYSA-N 45310 4-Cyclopentylcarbamoylmethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid cyclopentylamide::MLS000076186::N-cyclopentyl-4-[2-(cyclopentylamino)-2-keto-ethyl]-3-keto-2,2-dimethyl-1,4-benzoxazine-6-carboxamide::N-cyclopentyl-4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazine-6-carboxamide::N-cyclopentyl-4-[2-(cyclopentylamino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide::SMR000006828::cid_654409 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45310&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 654409 252625912 ZINC01342319 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83613 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(C)cc1 InChI=1S/C18H18N4O3/c1-11-4-6-12(7-5-11)16-20-18(19)22(21-16)17(23)13-8-9-14(24-2)15(10-13)25-3/h4-10H,1-3H3,(H2,19,20,21) FFDMJRPXWNAPBP-UHFFFAOYSA-N 33426 (5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone::MLS000076095::SMR000013731::[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_654458 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 654458 252616334 ZINC00800885 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83614 Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1 InChI=1S/C12H15N5O2/c1-8-4-5-10(9(2)6-8)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18) CPIQOFHCTLKRBI-UHFFFAOYSA-N 45311 2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide::2-(2,4-dimethylphenoxy)-N-(2-methyl-1,2,3,4-tetrazol-5-yl)ethanamide::2-(2,4-dimethylphenoxy)-N-(2-methyl-5-tetrazolyl)acetamide::2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide::MLS000075055::SMR000014128::cid_654531 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45311&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 654531 252625913 ZINC00558098 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83615 CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1 InChI=1S/C16H23NO4/c1-2-20-15-10-13(11-18)6-7-14(15)21-12-16(19)17-8-4-3-5-9-17/h6-7,10,18H,2-5,8-9,11-12H2,1H3 XARYNIYAGVXTRM-UHFFFAOYSA-N 32763 2-(2-Ethoxy-4-hydroxymethyl-phenoxy)-1-piperidin-1-yl-ethanone::2-(2-ethoxy-4-methylol-phenoxy)-1-piperidino-ethanone::2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-1-(1-piperidinyl)ethanone::2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-1-piperidin-1-yl-ethanone::2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-1-piperidin-1-ylethanone::MLS000034302::SMR000014145::cid_655036 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32763&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 655036 252615899 ZINC00575662 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83616 COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 InChI=1S/C23H27N5O5S/c1-23(2,3)26-21(30)18(15-6-5-11-33-15)28(12-13-7-9-14(32-4)10-8-13)22(31)19-16(24)17(20(25)29)27-34-19/h5-11,18H,12,24H2,1-4H3,(H2,25,29)(H,26,30) YFICKPRRHYSSLF-UHFFFAOYSA-N 45312 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(tert-butylcarbamoyl-furan-2-yl-methyl)-(4-methoxy-benzyl)-amide]::4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-[2-(tert-butylamino)-1-(2-furyl)-2-keto-ethyl]-N'-p-anisyl-isothiazole-3,5-dicarboxamide::4-amino-N5-[2-(tert-butylamino)-1-(2-furanyl)-2-oxoethyl]-N5-[(4-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide::4-azanyl-N5-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]-N5-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide::MLS000030773::SMR000002678::cid_655189 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45312&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 655189 252625914 ZINC04355780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83617 COc1cc(COCC(O)CN2CCOCC2)cc(OC)c1OC InChI=1S/C17H27NO6/c1-20-15-8-13(9-16(21-2)17(15)22-3)11-24-12-14(19)10-18-4-6-23-7-5-18/h8-9,14,19H,4-7,10-12H2,1-3H3 DHHNIMNDKODRPF-UHFFFAOYSA-N 45313 1-(4-morpholinyl)-3-[(3,4,5-trimethoxyphenyl)methoxy]-2-propanol;hydrochloride::1-Morpholin-4-yl-3-(3,4,5-trimethoxy-benzyloxy)-propan-2-ol::1-morpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol;hydrochloride::1-morpholino-3-(3,4,5-trimethoxybenzyl)oxy-propan-2-ol;hydrochloride::MLS000070295::SMR000009113::cid_2867130 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45313&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 655840 252625915 ZINC19770999 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83618 O=c1oc(nc2n(ncc12)-c1ccccc1)-c1ccco1 InChI=1S/C15H9N3O3/c19-15-11-9-16-18(10-5-2-1-3-6-10)13(11)17-14(21-15)12-7-4-8-20-12/h1-9H ITKDRIBPGQEEOY-UHFFFAOYSA-N 45314 6-(2-furanyl)-1-phenyl-4-pyrazolo[3,4-d][1,3]oxazinone::6-(2-furyl)-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one::6-(furan-2-yl)-1-phenyl-pyrazolo[3,4-d][1,3]oxazin-4-one::6-(furan-2-yl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one::6-Furan-2-yl-1-phenyl-1H-pyrazolo[3,4-d][1,3]oxazin-4-one::MLS000027037::SMR000009011::cid_656157 Coagulation factor XII 18237.04 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45314&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 656157 252625916 ZINC00127194 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83619 Oc1cn(Cc2ccccc2)\c(=N\Cc2ccco2)s1 InChI=1S/C15H14N2O2S/c18-14-11-17(10-12-5-2-1-3-6-12)15(20-14)16-9-13-7-4-8-19-13/h1-8,11,18H,9-10H2/b16-15- GXPABGGSZXVZNO-NXVVXOECSA-N 45315 2-(2-furanylmethylimino)-3-(phenylmethyl)-5-thiazolidinone::2-(furan-2-ylmethylimino)-3-(phenylmethyl)-1,3-thiazolidin-5-one::3-Benzyl-2-[(E)-furan-2-ylmethylimino]-thiazolidin-5-one::3-benzyl-2-(2-furfurylimino)thiazolidin-5-one::3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one::MLS000030945::SMR000001964::cid_656370 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45315&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896646 252625917 ZINC12496744 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83620 COc1cccc(Cn2c(NCc3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1 InChI=1S/C20H21N5O4/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-6-4-7-14(10-13)28-3)19(22-17)21-11-15-8-5-9-29-15/h4-10H,11-12H2,1-3H3,(H,21,22) HFEYLXPUSONHDB-UHFFFAOYSA-N 38876 8-(2-furanylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione::8-(2-furfurylamino)-7-m-anisyl-1,3-dimethyl-xanthine::8-(furan-2-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione::8-(furan-2-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione::MLS000079186::SMR000035514::cid_657698 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38876&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 657698 252619778 ZINC13116305 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83621 O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12 InChI=1S/C17H11N3O3/c1-2-11-23-17(22)13-8-4-3-7-12(13)16(21)20-15-10-6-5-9-14(15)18-19-20/h1,3-10H,11H2 CSUAPNQISCNOJK-UHFFFAOYSA-N 32765 2-(benzotriazole-1-carbonyl)benzoic acid propargyl ester::2-[1-benzotriazolyl(oxo)methyl]benzoic acid prop-2-ynyl ester::MLS000080837::SMR000036164::cid_658532::prop-2-ynyl 2-(benzotriazol-1-ylcarbonyl)benzoate::prop-2-ynyl 2-(benzotriazole-1-carbonyl)benzoate Coagulation factor XII 11008.88 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32765&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 658532 252615901 ZINC02274657 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83622 CC(=O)Oc1oc(nc1C=Nc1ccccn1)-c1ccccc1 InChI=1S/C17H13N3O3/c1-12(21)22-17-14(11-19-15-9-5-6-10-18-15)20-16(23-17)13-7-3-2-4-8-13/h2-11H,1H3 CLQYYXUSAQGRMT-UHFFFAOYSA-N 45316 MLS000027598::SMR000040012::[2-phenyl-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-yl] acetate::[2-phenyl-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-yl] ethanoate::acetic acid [2-phenyl-4-(2-pyridinyliminomethyl)-5-oxazolyl] ester::acetic acid [2-phenyl-4-(2-pyridyliminomethyl)oxazol-5-yl] ester::cid_659050 Coagulation factor XII 16397.71333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45316&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9568652 252625918 ZINC13116037 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83623 O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1 InChI=1S/C19H12N2O5/c22-18(13-8-10-23-12-13)26-19-15(11-20-14-5-2-1-3-6-14)21-17(25-19)16-7-4-9-24-16/h1-12H/b20-11+ YEUSDDRDTZYOCG-RGVLZGJSSA-N 32667 3-furancarboxylic acid [2-(2-furanyl)-4-(phenyliminomethyl)-5-oxazolyl] ester::MLS000027589::SMR000040036::[2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-3-carboxylate::cid_659095::furan-3-carboxylic acid [2-(2-furyl)-4-(phenyliminomethyl)oxazol-5-yl] ester Coagulation factor XII 10891.90667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32667&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 659095 252615805 ZINC13116036 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83624 CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22) KOWJQOYLMHWFCV-UHFFFAOYSA-N 38893 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea::1-[1,1,1,3,3,3-hexakis(fluoranyl)-2-methyl-propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea::1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea::MLS000038686::SMR000040645::cid_659661 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38893&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 659661 252619794 ZINC02228478 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83625 COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F InChI=1S/C13H12F3N3O4S/c1-7-6-24-11(17-7)19-12(10(21)22-2,13(14,15)16)18-9(20)8-4-3-5-23-8/h3-6H,1-2H3,(H,17,19)(H,18,20) IGCFWHRVLUAMOM-UHFFFAOYSA-N 45317 3,3,3-trifluoro-2-(2-furoylamino)-2-[(4-methylthiazol-2-yl)amino]propionic acid methyl ester::3,3,3-trifluoro-2-[[2-furanyl(oxo)methyl]amino]-2-[(4-methyl-2-thiazolyl)amino]propanoic acid methyl ester::MLS000078132::SMR000041214::cid_660460::methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate::methyl 3,3,3-tris(fluoranyl)-2-(furan-2-ylcarbonylamino)-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45317&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660460 252625919 ZINC09109760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83626 Brc1cccc(NC(=O)CCN2CCCC2)c1 InChI=1S/C13H17BrN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17) WCPHOHCVISFQHF-UHFFFAOYSA-N 45318 MLS000078245::N-(3-bromophenyl)-3-(1-pyrrolidinyl)propanamide::N-(3-bromophenyl)-3-pyrrolidin-1-yl-propanamide::N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide::N-(3-bromophenyl)-3-pyrrolidino-propionamide::SMR000037177::cid_660492 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45318&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660492 252625920 ZINC00453196 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83627 Cn1nccc1C(=O)Nc1ccccc1C(O)=O InChI=1S/C12H11N3O3/c1-15-10(6-7-13-15)11(16)14-9-5-3-2-4-8(9)12(17)18/h2-7H,1H3,(H,14,16)(H,17,18) QCSHYNRFKADQFN-UHFFFAOYSA-N 45319 2-[(2-methylpyrazol-3-yl)carbonylamino]benzoic acid::2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid::2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid::MLS000027638::SMR000041327::cid_572920 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45319&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 572920 252625921 ZINC00535660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83628 COc1ccc(cc1OC)C1C(C(C)=O)C(=O)C(=O)N1c1nccs1 InChI=1S/C17H16N2O5S/c1-9(20)13-14(10-4-5-11(23-2)12(8-10)24-3)19(16(22)15(13)21)17-18-6-7-25-17/h4-8,13-14H,1-3H3 AOBWYIJNNZTAQF-UHFFFAOYSA-N 45320 2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one::3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one::3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-thiazolyl)-2H-pyrrol-5-one::4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-thiazol-2-yl-3-pyrrolin-2-one::MLS000036518::SMR000037668::cid_660560 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45320&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896647 252625922 ZINC01296929 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83629 O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccco1 InChI=1S/C19H12N2O5/c22-18(16-9-5-11-24-16)26-19-14(12-20-13-6-2-1-3-7-13)21-17(25-19)15-8-4-10-23-15/h1-12H/b20-12+ ZBVMFYIAGCLVCR-UDWIEESQSA-N 32768 2-furancarboxylic acid [2-(2-furanyl)-4-(phenyliminomethyl)-5-oxazolyl] ester::MLS000036330::SMR000041595::[2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-2-carboxylate::cid_660829::furan-2-carboxylic acid [2-(2-furyl)-4-(phenyliminomethyl)oxazol-5-yl] ester Coagulation factor XII 10038.98333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32768&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660829 252615904 ZINC13115887 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83630 CC1=C(C(N2C(=O)CCSC2=N1)c1cccs1)C(=O)OCC=C InChI=1S/C16H16N2O3S2/c1-3-7-21-15(20)13-10(2)17-16-18(12(19)6-9-23-16)14(13)11-5-4-8-22-11/h3-5,8,14H,1,6-7,9H2,2H3 BHVBNDGKICISCK-UHFFFAOYSA-N 45321 4-keto-8-methyl-6-(2-thienyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid allyl ester::8-methyl-4-oxo-6-thiophen-2-yl-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid prop-2-enyl ester::MLS000078511::SMR000041666::cid_660932::prop-2-enyl 8-methyl-4-oxidanylidene-6-thiophen-2-yl-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate::prop-2-enyl 8-methyl-4-oxo-6-thiophen-2-yl-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45321&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660932 252625923 ZINC02358017 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83631 Cc1nc(SCC=C)[nH]c(=O)c1CC=C InChI=1S/C11H14N2OS/c1-4-6-9-8(3)12-11(13-10(9)14)15-7-5-2/h4-5H,1-2,6-7H2,3H3,(H,12,13,14) QKOBFNINEWREKY-UHFFFAOYSA-N 45322 5-allyl-2-(allylthio)-6-methyl-1H-pyrimidin-4-one::6-methyl-5-prop-2-enyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one::6-methyl-5-prop-2-enyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one::MLS000038376::SMR000057966::cid_660943 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45322&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 660943 252625924 ZINC08762681 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83632 Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1 InChI=1S/C25H26N4O4S/c1-17-19(16-26-29(17)18-6-3-2-4-7-18)23(30)21-22(20-8-5-15-34-20)28(25(32)24(21)31)10-9-27-11-13-33-14-12-27/h2-8,15-16,21-22H,9-14H2,1H3 VCMWLRUOJIZVSS-UHFFFAOYSA-N 45323 (4Z)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione::(4Z)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-[2-(4-morpholinyl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione::(4Z)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholinoethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone::(4Z)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione::MLS000077950::SMR000041902::cid_5389298 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45323&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896648 252625925 ZINC12468681 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83633 Cn1c2nc(Br)n(CCSc3ncccn3)c2c(=O)n(C)c1=O InChI=1S/C13H13BrN6O2S/c1-18-9-8(10(21)19(2)13(18)22)20(11(14)17-9)6-7-23-12-15-4-3-5-16-12/h3-5H,6-7H2,1-2H3 FMCLRLBGHRLAME-UHFFFAOYSA-N 45324 8-bromanyl-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione::8-bromo-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione::8-bromo-1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione::8-bromo-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine::MLS000077514::SMR000037762::cid_661328 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45324&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 661328 252625926 ZINC01242820 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83634 COc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12 InChI=1S/C18H16N6O/c1-25-15-7-5-14(6-8-15)24-18-16(11-23-24)17(21-12-22-18)20-10-13-4-2-3-9-19-13/h2-9,11-12H,10H2,1H3,(H,20,21,22) XOMMIHLZMNIJFR-UHFFFAOYSA-N 45325 1-(4-methoxyphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine::1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine::MLS000036781::SMR000035760::[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(2-pyridylmethyl)amine::cid_661366 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45325&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 661366 252625927 ZINC00426499 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83635 CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccc(C)o1 InChI=1S/C23H26N2O6/c1-14-5-7-17(31-14)20-19(22(27)23(28)25(20)10-4-9-24(2)3)21(26)15-6-8-16-18(13-15)30-12-11-29-16/h5-8,13,19-20H,4,9-12H2,1-3H3 KDVGUGOHNSSZFX-UHFFFAOYSA-N 45326 (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(5-methyl-2-furyl)pyrrolidine-2,3-quinone::(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-(5-methyl-2-furanyl)pyrrolidine-2,3-dione::(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione::(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-[3-(dimethylamino)propyl]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione::MLS000037202::SMR000036103::cid_5389412 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45326&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896649 252625928 ZINC19938421 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83636 CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1 InChI=1S/C9H13BrN2O2S2/c1-11-4-6-12(7-5-11)16(13,14)9-3-2-8(10)15-9/h2-3H,4-7H2,1H3 BFZGLUYSKKBVIJ-UHFFFAOYSA-N 39535 1-(5-bromanylthiophen-2-yl)sulfonyl-4-methyl-piperazine::1-(5-bromothiophen-2-yl)sulfonyl-4-methylpiperazine::1-[(5-bromo-2-thienyl)sulfonyl]-4-methyl-piperazine::1-[(5-bromo-2-thiophenyl)sulfonyl]-4-methylpiperazine::MLS000039372::SMR000035209::cid_662157 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=39535&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 662157 252620427 ZINC34728042 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83637 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1ccco1 InChI=1S/C15H12N4O3S/c1-20-9-5-3-6-10(21-2)12(9)14-18-19-13(11-7-4-8-22-11)16-17-15(19)23-14/h3-8H,1-2H3 OLUIRVYQWANIRQ-UHFFFAOYSA-N 45327 6-(2,6-dimethoxyphenyl)-3-(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(2,6-dimethoxyphenyl)-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(2,6-dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::MLS000081189::SMR000043571::cid_662811 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45327&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 662811 252625929 ZINC00530607 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83638 CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1 InChI=1S/C14H18N4O2S/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10/h3-7,11H,8-9,15H2,1-2H3/t11-/m0/s1 HEKKIESHBHLKTQ-NSHDSACASA-N 33517 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]thio]-N,N-dimethyl-acetamide;hydrochloride::2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride::2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]thio]-N,N-dimethylacetamide;hydrochloride::2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-ethanamide;hydrochloride::MLS000042386::SMR000043830::cid_6602827 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33517&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 663064 252616424 ZINC00531941 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83639 CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 InChI=1S/C21H29N5O3S/c1-3-19-23-24-21(30-19)22-18(27)8-9-20(28)26-12-10-25(11-13-26)14-15-29-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H,22,24,27) LNGWVZBNOGLPNY-UHFFFAOYSA-N 44608 MLS000082806::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-4-oxobutanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxidanylidene-butanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxobutanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-4-[4-[2-(4-methylphenoxy)ethyl]piperazino]butyramide::SMR000059786::cid_663447 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44608&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 663447 252625219 ZINC06264805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83640 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN(C)C)C(=O)C2=O)c2cccc(OC)c2OC)c1C InChI=1S/C25H31N3O7/c1-13-17(14(2)26-19(13)25(32)35-7)21(29)18-20(15-9-8-10-16(33-5)23(15)34-6)28(12-11-27(3)4)24(31)22(18)30/h8-10,18,20,26H,11-12H2,1-7H3 ILENMLMCJPDQJM-UHFFFAOYSA-N 45328 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-diketo-pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::MLS000081296::SMR000044158::cid_5389709::methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate::methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45328&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896650 252625930 ZINC04040071 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83641 COc1ccc(C=Nn2c(=O)[nH]c3c4cc(C)ccc4[nH]c3c2=O)cc1CN1CCOCC1 InChI=1S/C24H25N5O4/c1-15-3-5-19-18(11-15)21-22(26-19)23(30)29(24(31)27-21)25-13-16-4-6-20(32-2)17(12-16)14-28-7-9-33-10-8-28/h3-6,11-13,26H,7-10,14H2,1-2H3,(H,27,31) SDGOPSQAYWFNJR-UHFFFAOYSA-N 45329 3-[[4-methoxy-3-(4-morpholinylmethyl)phenyl]methylideneamino]-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione::3-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione::3-[[4-methoxy-3-(morpholinomethyl)benzylidene]amino]-8-methyl-1,5-dihydropyrimid[5,4-b]indole-2,4-quinone::MLS000080975::SMR000044388::cid_663605 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45329&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6889992 252625931 ZINC32311405 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83642 CCOCCCn1cnc2n(-c3ccccc3)c3nc4ccccc4nc3c2c1=O InChI=1S/C23H21N5O2/c1-2-30-14-8-13-27-15-24-21-19(23(27)29)20-22(28(21)16-9-4-3-5-10-16)26-18-12-7-6-11-17(18)25-20/h3-7,9-12,15H,2,8,13-14H2,1H3 PHRBMNCELVGVCC-UHFFFAOYSA-N 45330 MLS000040683::SMR000044526::cid_663690 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45330&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 663690 242053061 ZINC02410715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83643 CCC(C)[C@H](NC(=O)Nc1ccc(cc1)C(C)=O)C(=O)OC InChI=1S/C16H22N2O4/c1-5-10(2)14(15(20)22-4)18-16(21)17-13-8-6-12(7-9-13)11(3)19/h6-10,14H,5H2,1-4H3,(H2,17,18,21)/t10?,14-/m0/s1 MOBYMHLXDFGHEO-SBNLOKMTSA-N 45331 (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methyl-valeric acid methyl ester::(2S)-2-[[(4-acetylanilino)-oxomethyl]amino]-3-methylpentanoic acid methyl ester::MLS000081001::SMR000045398::cid_664498::methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoate::methyl (2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-methyl-pentanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45331&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 664498 252625932 ZINC02398303 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83644 CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1 InChI=1S/C17H22N2O3S2/c1-3-5-16(20)18-17-19(13-8-6-12(4-2)7-9-13)14-10-24(21,22)11-15(14)23-17/h6-9,14-15H,3-5,10-11H2,1-2H3 OSYCDDDZJMNXHL-UHFFFAOYSA-N 45332 MLS000041015::N-[3-(4-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide::N-[3-(4-ethylphenyl)-5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]butyramide::N-[3-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide::N-[3-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]butanamide::SMR000045827::cid_664826 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45332&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 664826 252625933 ZINC13115604 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83645 CCCc1nc2n[nH]c(N)c2c2CCCc12 InChI=1S/C12H16N4/c1-2-4-9-7-5-3-6-8(7)10-11(13)15-16-12(10)14-9/h2-6H2,1H3,(H3,13,14,15,16) YWIMPGSKZAOEPV-UHFFFAOYSA-N 45333 MLS000082556::SMR000046006::cid_664932 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45333&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 664932 242053062 ZINC06498784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83646 OCCCN1C(c2c(oc3ccccc3c2=O)C1=O)c1cccc(F)c1 InChI=1S/C20H16FNO4/c21-13-6-3-5-12(11-13)17-16-18(24)14-7-1-2-8-15(14)26-19(16)20(25)22(17)9-4-10-23/h1-3,5-8,11,17,23H,4,9-10H2 PFKSXQGOWYXOQW-UHFFFAOYSA-N 45334 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione::1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione::1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone::1-(3-fluorophenyl)-2-(3-oxidanylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione::MLS000083635::SMR000046588::cid_665442 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45334&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 665442 252625934 ZINC02336721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83647 Clc1cccc2[nH]c3c(ncn(CCN4CCCCC4)c3=O)c12 InChI=1S/C17H19ClN4O/c18-12-5-4-6-13-14(12)15-16(20-13)17(23)22(11-19-15)10-9-21-7-2-1-3-8-21/h4-6,11,20H,1-3,7-10H2 KWCXMEVQZVHDRD-UHFFFAOYSA-N 45335 9-chloranyl-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one::9-chloro-3-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one::9-chloro-3-(2-piperidinoethyl)-5H-pyrimid[5,4-b]indol-4-one::9-chloro-3-[2-(1-piperidinyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one::MLS000082944::SMR000046594::cid_665501 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45335&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 665501 252625935 ZINC20478844 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83648 COC(=O)CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C18H23N3O7S/c1-18(2,3)28-16(23)19-13(10-12-8-6-5-7-9-12)15-20-21-17(27-15)29(24,25)11-14(22)26-4/h5-9,13H,10-11H2,1-4H3,(H,19,23)/t13-/m0/s1 OQDBMGNDSYELAE-ZDUSSCGKSA-N 36947 2-[[5-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]sulfonyl]acetic acid methyl ester::2-[[5-[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfonyl]acetic acid methyl ester::MLS000041931::SMR000046685::cid_665535::methyl 2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]sulfonyl]ethanoate::methyl 2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfonyl]acetate Coagulation factor XII 8950.343333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36947&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 665535 252617919 ZINC02405079 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83649 CCOC(=O)C1C(=N)Oc2c(c(=O)oc3ccccc23)C11C(=O)N(C)c2ccccc12 InChI=1S/C23H18N2O6/c1-3-29-20(26)17-19(24)31-18-12-8-4-7-11-15(12)30-21(27)16(18)23(17)13-9-5-6-10-14(13)25(2)22(23)28/h4-11,17,24H,3H2,1-2H3 AGUHMFDEKANFTP-UHFFFAOYSA-N 45336 2'-amino-1-methyl-2,5'-dioxo-3'-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]carboxylic acid ethyl ester::2'-amino-2,5'-diketo-1-methyl-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylic acid ethyl ester::MLS000041984::SMR000047024::cid_665770::ethyl 2'-amino-1-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate::ethyl 2'-azanyl-1-methyl-2,5'-bis(oxidanylidene)spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45336&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896651 252625936 ZINC04295338 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83650 CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1 InChI=1S/C21H23N7O2S/c1-26(14-15-8-4-3-5-9-15)20-24-17-16(18(29)25-21(30)27(17)2)28(20)12-7-13-31-19-22-10-6-11-23-19/h3-6,8-11H,7,12-14H2,1-2H3,(H,25,29,30) QULCCXJULPPHAK-UHFFFAOYSA-N 32772 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione::3-methyl-8-[methyl-(phenylmethyl)amino]-7-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione::8-[benzyl(methyl)amino]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione::8-[benzyl(methyl)amino]-3-methyl-7-[3-(2-pyrimidylthio)propyl]xanthine::MLS000083979::SMR000047633::cid_666425 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32772&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 666425 252615908 ZINC37866276 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83651 COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 InChI=1S/C24H23ClN4O4S/c1-16-5-10-21(31-2)20(12-16)26-23(30)15-34-24-28-27-22(29(24)13-19-4-3-11-32-19)14-33-18-8-6-17(25)7-9-18/h3-12H,13-15H2,1-2H3,(H,26,30) WDMJXGQJRZEAAS-UHFFFAOYSA-N 45337 2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide::2-[[5-[(4-chlorophenoxy)methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide::2-[[5-[(4-chlorophenoxy)methyl]-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide::2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide::MLS000083335::SMR000047797::cid_666557 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45337&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 666557 252625937 ZINC02223882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83652 Cc1cc2OC(=N)C(C#N)C(Cc3ccccc3)c2c(=O)n1C InChI=1S/C18H17N3O2/c1-11-8-15-16(18(22)21(11)2)13(14(10-19)17(20)23-15)9-12-6-4-3-5-7-12/h3-8,13-14,20H,9H2,1-2H3 KKFAPPYMNCKPCL-UHFFFAOYSA-N 45338 2-amino-4-benzyl-5-keto-6,7-dimethyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile::2-amino-4-benzyl-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile::2-amino-6,7-dimethyl-5-oxo-4-(phenylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile::2-azanyl-6,7-dimethyl-5-oxidanylidene-4-(phenylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile::MLS000084131::SMR000047976::cid_666721 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45338&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896652 252625938 ZINC02236397 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83653 COC(=O)Cc1c(C)nc2nc[nH]n2c1=O InChI=1S/C9H10N4O3/c1-5-6(3-7(14)16-2)8(15)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,10,11,12) LBNHIJDKQAZILS-UHFFFAOYSA-N 45339 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid methyl ester::2-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid methyl ester::MLS000084182::SMR000048123::cid_666837::methyl 2-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate::methyl 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45339&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 666837 252625939 ZINC04283211 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83654 Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O InChI=1S/C24H24FN5O2/c1-27-22-21(23(31)28(2)24(27)32)30(14-18-9-5-6-10-19(18)25)20(26-22)15-29-12-11-16-7-3-4-8-17(16)13-29/h3-10H,11-15H2,1-2H3 QHWAJLZAGSQOEF-UHFFFAOYSA-N 45340 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine::8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione::8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione::MLS000080720::SMR000017132::cid_666849 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45340&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 666849 252625940 ZINC20029451 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83655 Fc1ccc(cc1)C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 InChI=1S/C22H18FN3O3S/c23-17-10-8-16(9-11-17)20(27)15-30-22-25-24-21(14-29-18-5-2-1-3-6-18)26(22)13-19-7-4-12-28-19/h1-12H,13-15H2 LZGGMIYLNQXAPB-UHFFFAOYSA-N 45341 1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-fluorophenyl)-2-[[4-(2-furfuryl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone::MLS000083342::SMR000048652::cid_667293 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45341&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 667293 252625941 ZINC02358276 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83656 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl InChI=1S/C16H15Cl2N3O5S/c1-10-2-4-12(5-3-10)27(24,25)20-8-15(23)26-9-14(22)21-16-13(18)6-11(17)7-19-16/h2-7,20H,8-9H2,1H3,(H,19,21,22) DZRJCGLLHOWLAB-UHFFFAOYSA-N 40607 2-(tosylamino)acetic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester::2-[(4-methylphenyl)sulfonylamino]acetic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester::MLS000057183::SMR000062126::[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate::[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate::cid_2377339 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40607&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2377339 252621427 ZINC03260572 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83657 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)nc12 InChI=1S/C19H19N3O5S2/c1-26-15-3-2-4-16-17(15)20-19(28-16)21-18(23)13-5-7-14(8-6-13)29(24,25)22-9-11-27-12-10-22/h2-8H,9-12H2,1H3,(H,20,21,23) FZNKDVDFHGPRQZ-UHFFFAOYSA-N 45342 MLS000054781::N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-morpholinylsulfonyl)benzamide::N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide::N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide::N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide::SMR000060692::cid_1548582 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45342&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1548582 252625942 ZINC03191091 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83658 COC(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)[nH]1 InChI=1S/C11H9ClN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17) GYUHSNYCJOUHNH-UHFFFAOYSA-N 33531 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-chlorophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000054995::SMR000065676::cid_2314714::methyl 3-[(4-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-chlorophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 5500 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33531&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314714 252616436 ZINC04200558 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83659 CC1(C)C2CC1C(C=Nn1cnnc1)=CC2 InChI=1S/C12H16N4/c1-12(2)10-4-3-9(11(12)5-10)6-15-16-7-13-14-8-16/h3,6-8,10-11H,4-5H2,1-2H3 XXGDBFBBQLDWKK-UHFFFAOYSA-N 45343 (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methylene-(1,2,4-triazol-4-yl)amine::1-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-N-(1,2,4-triazol-4-yl)methanimine::MLS000055535::SMR000066044::cid_2998143 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45343&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9554672 252625943 ZINC33410082 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83660 COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(cs2)-c2ccccc2)CC1 InChI=1S/C24H24N4O2S/c1-30-23-10-6-5-9-21(23)28-13-11-27(12-14-28)16-22(29)19(15-25)24-26-20(17-31-24)18-7-3-2-4-8-18/h2-10,17,19H,11-14,16H2,1H3 CLASRALGMQXCAR-UHFFFAOYSA-N 45344 (2Z)-3-keto-4-[4-(2-methoxyphenyl)piperazino]-2-(4-phenyl-4-thiazolin-2-ylidene)butyronitrile::(2Z)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile::(2Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile::(2Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile::MLS000055217::SMR000065605::cid_5665572 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45344&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896653 252625944 ZINC12468427 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83661 c1coc(c1)-c1nc2ccccc2nc1-c1ccco1 InChI=1S/C16H10N2O2/c1-2-6-12-11(5-1)17-15(13-7-3-9-19-13)16(18-12)14-8-4-10-20-14/h1-10H GMUROSQCXMKHEN-UHFFFAOYSA-N 45345 2,3-bis(2-furanyl)quinoxaline::2,3-bis(2-furyl)quinoxaline::2,3-bis(furan-2-yl)quinoxaline::MLS000097921::SMR000060556::cid_236275 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45345&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 236275 252625945 ZINC00188598 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83662 COCc1c(oc2ccccc12)C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 InChI=1S/C22H21N5O4/c1-13-7-3-5-9-16(13)24-22-26-18(25-21(23)27-22)12-30-20(28)19-15(11-29-2)14-8-4-6-10-17(14)31-19/h3-10H,11-12H2,1-2H3,(H3,23,24,25,26,27) CEIVFGMMZTXJNB-UHFFFAOYSA-N 45346 3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester::3-(methoxymethyl)coumarilic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester::MLS000056170::SMR000068416::[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate::[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate::cid_2553426 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45346&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2553426 252625946 ZINC03433760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83663 Cc1cc(C)n(N=Cc2ccccc2)c(=O)c1C#N InChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3 YTODHHLHESCNOI-UHFFFAOYSA-N 45347 1-(benzalamino)-2-keto-4,6-dimethyl-nicotinonitrile::1-(benzylideneamino)-4,6-dimethyl-2-oxopyridine-3-carbonitrile::4,6-dimethyl-2-oxidanylidene-1-[(phenylmethylidene)amino]pyridine-3-carbonitrile::4,6-dimethyl-2-oxo-1-[(phenylmethylene)amino]-3-pyridinecarbonitrile::MLS000055041::SMR000065848::cid_268105 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45347&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6861579 252625947 ZINC04578698 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83664 Clc1ccc(s1)-c1csc(NC(=O)c2cccs2)n1 InChI=1S/C12H7ClN2OS3/c13-10-4-3-8(19-10)7-6-18-12(14-7)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16) SZEJCYRSPJKVSH-UHFFFAOYSA-N 32773 MLS000057551::N-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide::N-[4-(5-chloro-2-thienyl)thiazol-2-yl]thiophene-2-carboxamide::N-[4-(5-chloro-2-thiophenyl)-2-thiazolyl]-2-thiophenecarboxamide::N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide::SMR000065041::cid_2168035 Coagulation factor XII 23913.52 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32773&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2168035 252615909 ZINC02761724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83665 O=C(Cn1nnc(n1)-c1ccccc1)OCc1csc(n1)-c1ccccc1 InChI=1S/C19H15N5O2S/c25-17(11-24-22-18(21-23-24)14-7-3-1-4-8-14)26-12-16-13-27-19(20-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2 PFKUVAMJQBTZPQ-UHFFFAOYSA-N 45348 (2-phenyl-1,3-thiazol-4-yl)methyl 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate::(2-phenyl-1,3-thiazol-4-yl)methyl 2-(5-phenyltetrazol-2-yl)acetate::2-(5-phenyl-2-tetrazolyl)acetic acid (2-phenyl-4-thiazolyl)methyl ester::2-(5-phenyltetrazol-2-yl)acetic acid (2-phenylthiazol-4-yl)methyl ester::MLS000081900::SMR000062723::cid_2422597 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45348&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2422597 252625948 ZINC03306865 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83666 O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12 InChI=1S/C18H16N2O2/c21-18(19-11-12-5-4-10-22-12)17-13-6-1-2-8-15(13)20-16-9-3-7-14(16)17/h1-2,4-6,8,10H,3,7,9,11H2,(H,19,21) MWKFPUUBWYOUJG-UHFFFAOYSA-N 40622 MLS000053340::N-(2-furanylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide::N-(2-furfuryl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide::N-(furan-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide::SMR000067677::cid_862194 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40622&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 862194 252621442 ZINC00418419 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83667 CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(cc1)S(N)(=O)=O InChI=1S/C21H25N3O7S/c1-2-30-18-6-4-3-5-17(18)21(27)24-13-20(26)31-14-19(25)23-12-11-15-7-9-16(10-8-15)32(22,28)29/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,27)(H2,22,28,29) DZVXRWNHDDUKKP-UHFFFAOYSA-N 45349 2-[(2-ethoxybenzoyl)amino]acetic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester::2-[[(2-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester::MLS000098264::SMR000066956::[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(2-ethoxyphenyl)carbonylamino]ethanoate::[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate::cid_2999280 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45349&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2999280 252625949 ZINC04163076 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83668 CN(C)c1cccc(c1)C(=O)n1cc(cn1)C(=O)c1cc(F)ccc1O InChI=1S/C19H16FN3O3/c1-22(2)15-5-3-4-12(8-15)19(26)23-11-13(10-21-23)18(25)16-9-14(20)6-7-17(16)24/h3-11,24H,1-2H3 TVYLKCWJJZHCMH-UHFFFAOYSA-N 45350 MLS000053804::SMR000066974::[3-(dimethylamino)phenyl]-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]methanone::[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]methanone::[3-(dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone::[3-(dimethylamino)phenyl]-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]methanone::cid_2999309 Coagulation factor XII 12405.91667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45350&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2999309 252625950 ZINC04057899 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83669 Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c2ccccc2n1 InChI=1S/C21H21N3O2/c1-15-14-19(18-4-2-3-5-20(18)22-15)21(25)23-16-6-8-17(9-7-16)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,25) VHRCVIXDXQGTSE-UHFFFAOYSA-N 45351 2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide::2-methyl-N-(4-morpholinophenyl)cinchoninamide::2-methyl-N-[4-(4-morpholinyl)phenyl]-4-quinolinecarboxamide::MLS000058385::SMR000064050::cid_2083491 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45351&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2083491 252625951 ZINC02621604 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83670 CCOc1cc(C=Nn2cnnc2)cc(Br)c1O InChI=1S/C11H11BrN4O2/c1-2-18-10-4-8(3-9(12)11(10)17)5-15-16-6-13-14-7-16/h3-7,17H,2H2,1H3 JXFDBLZYQDOQSY-UHFFFAOYSA-N 45352 (4Z)-2-bromanyl-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylene]cyclohexa-2,5-dien-1-one::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]-1-cyclohexa-2,5-dienone::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one::MLS000056749::SMR000066376::cid_5366182 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45352&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5366182 252625952 ZINC13130143 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83671 CCOC(=O)c1ccc2n(CC)c(nc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1 InChI=1S/C21H25N3O4S2/c1-3-24-18-8-7-16(21(25)28-4-2)14-17(18)22-20(24)15-9-11-23(12-10-15)30(26,27)19-6-5-13-29-19/h5-8,13-15H,3-4,9-12H2,1-2H3 BENFIQSABZDVAW-UHFFFAOYSA-N 45353 1-ethyl-2-(1-thiophen-2-ylsulfonyl-4-piperidinyl)-5-benzimidazolecarboxylic acid ethyl ester::1-ethyl-2-[1-(2-thienylsulfonyl)-4-piperidyl]benzimidazole-5-carboxylic acid ethyl ester::MLS000054531::SMR000060926::cid_2999624::ethyl 1-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzimidazole-5-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45353&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2999624 252625953 ZINC06467667 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83672 Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F InChI=1S/C20H15F2N3O2S/c1-11-15(12(2)27-24-11)10-28-20-23-17-6-4-3-5-14(17)19(26)25(20)18-8-7-13(21)9-16(18)22/h3-9H,10H2,1-2H3 IMXRKKCDWWHDRP-UHFFFAOYSA-N 45354 3-(2,4-difluorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one::3-(2,4-difluorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-quinazolinone::3-(2,4-difluorophenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]quinazolin-4-one::3-[2,4-bis(fluoranyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one::MLS000096418::SMR000062060::cid_2371696 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45354&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2371696 252625954 ZINC03254976 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83673 Cc1ccc(cc1)-n1c(O)c(sc1=O)N(CC(O)=O)c1cccc(C)c1 InChI=1S/C19H18N2O4S/c1-12-6-8-14(9-7-12)21-17(24)18(26-19(21)25)20(11-16(22)23)15-5-3-4-13(2)10-15/h3-10,24H,11H2,1-2H3,(H,22,23) HHSREMDPWSPSAK-UHFFFAOYSA-N 45355 2-(3-methyl-N-[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetic acid::2-(3-methyl-N-[3-(4-methylphenyl)-2,4-dioxo-5-thiazolidinyl]anilino)acetic acid::2-(N-[2,4-diketo-3-(p-tolyl)thiazolidin-5-yl]-3-methyl-anilino)acetic acid::2-[(3-methylphenyl)-[3-(4-methylphenyl)-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]amino]ethanoic acid::MLS000098087::SMR000065743::cid_2999776 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45355&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896654 252625955 ZINC03635882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83674 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1 InChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)14(18)17-15-16-12(9-21-15)13-3-2-8-20-13/h2-9H,1H3,(H,16,17,18) ARDXTNYXOIAXHF-UHFFFAOYSA-N 32776 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide::4-methoxy-N-(4-thiophen-2-yl-2-thiazolyl)benzamide::4-methoxy-N-[4-(2-thienyl)thiazol-2-yl]benzamide::MLS000096479::SMR000062204::cid_746912 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32776&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 746912 252615912 ZINC00190954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83675 CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2OCOc2c1 InChI=1S/C18H13NO6/c1-10(19-16(20)12-4-2-3-5-13(12)17(19)21)18(22)25-11-6-7-14-15(8-11)24-9-23-14/h2-8,10H,9H2,1H3 YXZGFOVPQXTMMF-UHFFFAOYSA-N 45356 1,3-benzodioxol-5-yl 2-(1,3-dioxoisoindol-2-yl)propanoate::1,3-benzodioxol-5-yl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate::2-(1,3-dioxo-2-isoindolyl)propanoic acid 1,3-benzodioxol-5-yl ester::2-phthalimidopropionic acid 1,3-benzodioxol-5-yl ester::MLS000098374::SMR000062741::cid_2999838 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45356&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2999838 252625956 ZINC03307787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83676 Cn1cnnc1SCc1ccc(cc1)C(=O)n1ncc(C#N)c1N InChI=1S/C15H13N7OS/c1-21-9-18-20-15(21)24-8-10-2-4-11(5-3-10)14(23)22-13(17)12(6-16)7-19-22/h2-5,7,9H,8,17H2,1H3 OKDRKIFSPRWEIF-UHFFFAOYSA-N 41387 5-amino-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile::5-amino-1-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]pyrazole-4-carbonitrile::5-amino-1-[[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-oxomethyl]-4-pyrazolecarbonitrile::5-azanyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile::MLS000057838::SMR000063201::cid_2084089 Coagulation factor XII 1056.556667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41387&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2084089 252622155 ZINC02622180 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83677 Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1 InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3 GUZMAFFEUZOWIP-UHFFFAOYSA-N 32778 MLS000081703::SMR000062919::[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate::[2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate::benzoic acid [2-(2-cyanoethyl)-5-methyl-3-pyrazolyl] ester::benzoic acid [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] ester::cid_2366780 Coagulation factor XII 7623.52 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32778&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2366780 252615914 ZINC03249673 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83678 Cc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C InChI=1S/C16H20N2O2S/c1-10-6-5-7-15(11(10)2)17-16(19)9-21-8-14-12(3)18-20-13(14)4/h5-7H,8-9H2,1-4H3,(H,17,19) PKULWLFWWCBXBH-UHFFFAOYSA-N 45357 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide::2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,3-dimethylphenyl)ethanamide::2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2,3-dimethylphenyl)acetamide::2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(2,3-dimethylphenyl)acetamide::MLS000053330::SMR000067584::cid_2119828 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45357&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2119828 252625957 ZINC02656143 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83679 COc1ccc(cc1)C(=O)n1cnc(N)n1 InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-10(11)13-14/h2-6H,1H3,(H2,11,13) VEXFYFAQGTUUIQ-UHFFFAOYSA-N 41388 (3-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone::1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine::MLS000084779::SMR000019125::cid_3235777 Coagulation factor XII 2729.49 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41388&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3235777 252622156 ZINC03899412 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83680 COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1 InChI=1S/C17H22N2O5S/c1-13-5-7-14(8-6-13)25(21,22)19-15(16-4-3-10-24-16)12-17(20)18-9-11-23-2/h3-8,10,15,19H,9,11-12H2,1-2H3,(H,18,20) ORMXZERYCGCFMJ-UHFFFAOYSA-N 45358 3-(2-furanyl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide::3-(2-furyl)-N-(2-methoxyethyl)-3-(tosylamino)propionamide::3-(2-furyl)-N-(2-methoxyethyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanamide::3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide::MLS000047320::SMR000033331::cid_3235782 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45358&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3235782 252625958 ZINC02938664 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83681 CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1cccc(Cl)c1 InChI=1S/C16H15ClN6O4/c1-2-27-13(25)7-18-12(24)8-22-9-19-15-14(16(22)26)20-21-23(15)11-5-3-4-10(17)6-11/h3-6,9H,2,7-8H2,1H3,(H,18,24) FBOCQEUIXUUCPV-UHFFFAOYSA-N 45359 2-[[2-[3-(3-chlorophenyl)-7-keto-triazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]acetic acid ethyl ester::2-[[2-[3-(3-chlorophenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-1-oxoethyl]amino]acetic acid ethyl ester::MLS000092826::SMR000028471::cid_3235926::ethyl 2-[2-[3-(3-chlorophenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanoylamino]ethanoate::ethyl 2-[[2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]acetate::ethyl N-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}glycinate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45359&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3235926 252625959 ZINC04143044 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83682 CC(=O)Nc1nonc1NC(=O)CSc1ccccn1 InChI=1S/C11H11N5O3S/c1-7(17)13-10-11(16-19-15-10)14-8(18)6-20-9-4-2-3-5-12-9/h2-5H,6H2,1H3,(H,13,15,17)(H,14,16,18) UAHGNNSDJVUDCF-UHFFFAOYSA-N 45360 MLS000045730::N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(2-pyridinylthio)acetamide::N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanyl-ethanamide::N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide::N-(4-acetamidofurazan-3-yl)-2-(2-pyridylthio)acetamide::N-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-(pyridin-2-ylthio)acetamide::SMR000027687::cid_715902 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45360&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 715902 252625960 ZINC00112695 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83683 OC1CCCN(C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F InChI=1S/C13H14ClF3N2O2/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(21)19-5-1-2-9(20)7-19/h3-4,6,9,20H,1-2,5,7H2,(H,18,21) MWTQDQHODUHRRP-UHFFFAOYSA-N 45361 MLS000094248::N-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-oxidanyl-piperidine-1-carboxamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-1-piperidinecarboxamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-piperidine-1-carboxamide::N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide::SMR000029838::cid_3236653 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45361&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3236653 252625961 ZINC04118732 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83684 COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC InChI=1S/C19H19N3O6S/c1-12-7-9-13(10-8-12)29(24,25)22-16(20)11-17(21-22)28-19(23)14-5-4-6-15(26-2)18(14)27-3/h4-11H,20H2,1-3H3 GZUGWGQRRGTKKN-UHFFFAOYSA-N 45362 2,3-dimethoxybenzoic acid (5-amino-1-tosyl-pyrazol-3-yl) ester::2,3-dimethoxybenzoic acid [5-amino-1-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester::5-amino-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3-dimethoxybenzoate::MLS000090440::SMR000025050::[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 2,3-dimethoxybenzoate::[5-azanyl-1-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,3-dimethoxybenzoate::cid_3236830 Coagulation factor XII 34009.3 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45362&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3236830 252625962 ZINC04115456 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83685 Cn1c2c(CCSC2=O)c2ccccc12 InChI=1S/C12H11NOS/c1-13-10-5-3-2-4-8(10)9-6-7-15-12(14)11(9)13/h2-5H,6-7H2,1H3 AMLWUSQZXSHQPF-UHFFFAOYSA-N 45363 9-methyl-3,4-dihydrothiopyran[3,4-b]indol-1-one::9-methyl-3,4-dihydrothiopyrano[3,4-b]indol-1-one::9-methyl-4,9-dihydrothiopyrano[3,4-b]indol-1(3H)-one::MLS000045688::SMR000027645::cid_713963 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45363&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 713963 252625963 ZINC00108396 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83686 O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1 InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28) IREYBTTUTCTPMN-UHFFFAOYSA-N 45364 MLS000047378::N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide::N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide::N-(4-phenoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide::N-(4-phenoxyphenyl)-2-[4-(2-pyridyl)piperazino]acetamide::SMR000033389::cid_3237037 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45364&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3237037 252625964 ZINC20432558 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83687 O=C(NCc1ccco1)c1scc2OCCOc12 InChI=1S/C12H11NO4S/c14-12(13-6-8-2-1-3-15-8)11-10-9(7-18-11)16-4-5-17-10/h1-3,7H,4-6H2,(H,13,14) XTGHQSJQIXXGHP-UHFFFAOYSA-N 45365 MLS000085858::N-(2-furanylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide::N-(2-furfuryl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide::N-(2-furylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide::N-(furan-2-ylmethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide::SMR000021187::cid_709392 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45365&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 709392 252625965 ZINC00098911 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83688 CN(C)\C=C1/C=C(OC1=O)c1ccccc1 InChI=1S/C13H13NO2/c1-14(2)9-11-8-12(16-13(11)15)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-9+ FUUCTFSVJSWKLR-PKNBQFBNSA-N 45366 (3E)-3-(dimethylaminomethylene)-5-phenyl-furan-2-one::(3E)-3-(dimethylaminomethylidene)-5-phenyl-2-furanone::(3E)-3-(dimethylaminomethylidene)-5-phenyl-furan-2-one::(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one::(3E)-3-[(dimethylamino)methylene]-5-phenylfuran-2(3H)-one::MLS000084691::SMR000019038::cid_762462 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45366&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 762462 252625966 ZINC12341337 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83689 Cc1c(sc2ncnc(N3CCc4ccccc4C3)c12)C(=O)N1CCOCC1 InChI=1S/C21H22N4O2S/c1-14-17-19(25-7-6-15-4-2-3-5-16(15)12-25)22-13-23-20(17)28-18(14)21(26)24-8-10-27-11-9-24/h2-5,13H,6-12H2,1H3 GOUBLFZHIISGOY-UHFFFAOYSA-N 45367 2-[5-methyl-6-(morpholin-4-ylcarbonyl)thieno[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinoline::MLS000047264::SMR000033275::[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-(4-morpholinyl)methanone::[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-yl-methanone::[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-morpholino-methanone::[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone::cid_3238305 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45367&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3238305 252625967 ZINC02931650 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83690 Cc1ccc(c(C)c1)-n1ncc2c1nc[nH]c2=O InChI=1S/C13H12N4O/c1-8-3-4-11(9(2)5-8)17-12-10(6-16-17)13(18)15-7-14-12/h3-7H,1-2H3,(H,14,15,18) AIQYAGCWQZIFBM-UHFFFAOYSA-N 45368 1-(2,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one::1-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one::MLS000085095::SMR000019641::cid_2049312 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45368&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2049312 252625968 ZINC05129573 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83691 CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O InChI=1S/C9H9N3O4/c1-3-12-7(13)4-5(8(12)14)10-11-6(4)9(15)16-2/h3H2,1-2H3,(H,10,11) GJOOSGQNSPTMAX-UHFFFAOYSA-N 45369 5-ethyl-4,6-diketo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester::5-ethyl-4,6-dioxo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester::MLS000043664::SMR000020676::cid_3239660::methyl 5-ethyl-4,6-bis(oxidanylidene)-2H-pyrrolo[3,4-c]pyrazole-3-carboxylate::methyl 5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate::methyl 5-ethyl-4,6-dioxo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45369&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3239660 252625969 ZINC05126291 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83692 CN(C)CC(N=O)C(=O)Nc1ccc(C)cc1 InChI=1S/C12H17N3O2/c1-9-4-6-10(7-5-9)13-12(16)11(14-17)8-15(2)3/h4-7,11H,8H2,1-3H3,(H,13,16) FGQPOJWCIMHHIJ-UHFFFAOYSA-N 45370 (2Z)-3-(dimethylamino)-2-(hydroxyimino)-N-(4-methylphenyl)propanamide::3-(dimethylamino)-2-hydroximino-N-(p-tolyl)propionamide::3-(dimethylamino)-2-hydroxyimino-N-(4-methylphenyl)propanamide::MLS000084687::SMR000019034::cid_6411263 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45370&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896655 252625970 ZINC13119610 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83693 Cc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nsnc34)sc2c1 InChI=1S/C20H19N5O3S3/c1-12-7-8-14-16(10-12)29-20(21-14)22-19(26)13-4-3-9-25(11-13)31(27,28)17-6-2-5-15-18(17)24-30-23-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,22,26) PWONHYLJDVKAEF-UHFFFAOYSA-N 45371 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide::1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide::MLS000045215::N-(6-methyl-1,3-benzothiazol-2-yl)-1-piazthiol-4-ylsulfonyl-nipecotamide::SMR000026807::cid_3240555 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45371&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3240555 252625971 ZINC04099437 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83694 O=C(CSC1=NCCS1)Nc1nc2CCCCc2s1 InChI=1S/C12H15N3OS3/c16-10(7-18-12-13-5-6-17-12)15-11-14-8-3-1-2-4-9(8)19-11/h1-7H2,(H,14,15,16) HDKYENRYTVXCNE-UHFFFAOYSA-N 45372 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide::2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide::2-(4,5-dihydro-1,3-thiazol-2-ylthio)-N-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylacetamide::2-(4,5-dihydrothiazol-2-ylthio)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide::MLS000085221::N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-thiazolin-2-ylthio)acetamide::SMR000019761::cid_3240725 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45372&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3240725 252625972 ZINC04111745 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83695 CC(C)C(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(O)=O InChI=1S/C17H27NO3/c1-10(2)15(16(20)21)18-14(19)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13,15H,3-9H2,1-2H3,(H,18,19)(H,20,21) PEOFRASVOPVXDK-UHFFFAOYSA-N 45373 2-[(1-adamantylacetyl)amino]-3-methylbutanoic acid::2-[2-(1-adamantyl)ethanoylamino]-3-methyl-butanoic acid::2-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-methylbutanoic acid::2-[[2-(1-adamantyl)acetyl]amino]-3-methyl-butyric acid::2-[[2-(1-adamantyl)acetyl]amino]-3-methylbutanoic acid::MLS000090153::SMR000024770::cid_3241135 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45373&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241135 252625973 ZINC04009131 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83696 O=C(NCCN1CCc2ccccc2C1)C1CN(C2CCCC2)C(=O)C1 InChI=1S/C21H29N3O2/c25-20-13-18(15-24(20)19-7-3-4-8-19)21(26)22-10-12-23-11-9-16-5-1-2-6-17(16)14-23/h1-2,5-6,18-19H,3-4,7-15H2,(H,22,26) PONUMWZQSDCKKP-UHFFFAOYSA-N 45374 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-keto-pyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-oxopyrrolidine-3-carboxamide::MLS000096370::SMR000032319::cid_3241136 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45374&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241136 252625974 ZINC23212127 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83697 O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O InChI=1S/C17H22N2O2/c20-16-6-5-13-19(16)15-9-7-14(8-10-15)17(21)18-11-3-1-2-4-12-18/h7-10H,1-6,11-13H2 QSRLSFVKIVMJAJ-UHFFFAOYSA-N 45375 1-[4-(azepan-1-ylcarbonyl)phenyl]pyrrolidin-2-one::1-[4-(azepane-1-carbonyl)phenyl]-2-pyrrolidone::1-[4-(azepane-1-carbonyl)phenyl]pyrrolidin-2-one::1-[4-[1-azepanyl(oxo)methyl]phenyl]-2-pyrrolidinone::MLS000091997::SMR000026521::cid_3241410 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45375&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3241410 252625975 ZINC00429221 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83698 COc1ccc(cc1F)C1=CSC2=NCCN12 InChI=1S/C12H11FN2OS/c1-16-11-3-2-8(6-9(11)13)10-7-17-12-14-4-5-15(10)12/h2-3,6-7H,4-5H2,1H3 GVOXLTHOISSAGB-UHFFFAOYSA-N 45376 3-(3-fluoranyl-4-methoxy-phenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide::3-(3-fluoro-4-methoxy-phenyl)-5,6-dihydroimidazo[2,1-b]thiazole;hydrobromide::3-(3-fluoro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide::3-(3-fluoro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b]thiazole;hydrobromide::MLS000047718::SMR000033727::cid_2858220 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45376&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 685381 252625976 ZINC00052283 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83699 CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(COC)o1 InChI=1S/C19H20N4O5S/c1-3-23(15-7-5-4-6-8-15)29(25,26)16-11-9-14(10-12-16)18(24)20-19-22-21-17(28-19)13-27-2/h4-12H,3,13H2,1-2H3,(H,20,22,24) ATCQUPCNWOZYRD-UHFFFAOYSA-N 45377 4-[ethyl(phenyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide::4-{[ethyl(phenyl)amino]sulfonyl}-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide::MLS000090452::SMR000025062::cid_2155638 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45377&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2155638 252625977 ZINC02720215 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83700 Cc1cc(-c2nsc(=O)o2)c(s1)S(C)(=O)=O InChI=1S/C8H7NO4S3/c1-4-3-5(6-9-15-8(10)13-6)7(14-4)16(2,11)12/h3H,1-2H3 FHHPCSYCWCIXAO-UHFFFAOYSA-N 34396 5-(2-mesyl-5-methyl-3-thienyl)-1,3,4-oxathiazol-2-one::5-(5-methyl-2-methylsulfonyl-3-thiophenyl)-1,3,4-oxathiazol-2-one::5-(5-methyl-2-methylsulfonyl-thiophen-3-yl)-1,3,4-oxathiazol-2-one::5-(5-methyl-2-methylsulfonylthiophen-3-yl)-1,3,4-oxathiazol-2-one::5-[5-methyl-2-(methylsulfonyl)thien-3-yl]-1,3,4-oxathiazol-2-one::MLS000092401::SMR000027478::cid_709292 Coagulation factor XII 7549.506667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34396&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 709292 252617069 ZINC00098708 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83701 COc1ccc(cc1Br)C1C(C(O)=O)c2ccccc2C(=O)N1C InChI=1S/C18H16BrNO4/c1-20-16(10-7-8-14(24-2)13(19)9-10)15(18(22)23)11-5-3-4-6-12(11)17(20)21/h3-9,15-16H,1-2H3,(H,22,23) BMPCFTVFJUUIBJ-UHFFFAOYSA-N 45378 3-(3-bromanyl-4-methoxy-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid::MLS000086186::SMR000021695::cid_3244052 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45378&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3244052 252625978 ZINC04035180 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83702 Clc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc13)[nH]c2=O InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)28-20-17(12-24-28)21(30)26-22(25-20)31-13-19(29)27-11-3-5-14-4-1-2-6-18(14)27/h1-2,4,6-10,12H,3,5,11,13H2,(H,25,26,30) SMRHLNJJUWZCFN-UHFFFAOYSA-N 45379 1-(4-chlorophenyl)-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one::MLS000091835::SMR000016338::cid_2153037 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45379&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2153037 252625979 ZINC06492536 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83703 CC(C)c1ccc(O)c(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c1 InChI=1S/C21H28N2O3S/c1-16(2)18-6-9-21(24)19(14-18)15-22-10-12-23(13-11-22)27(25,26)20-7-4-17(3)5-8-20/h4-9,14,16,24H,10-13,15H2,1-3H3 IYJLDWAHRRCHFK-UHFFFAOYSA-N 45380 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol::2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-propan-2-yl-phenol::2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-propan-2-ylphenol::4-Isopropyl-2-[4-(toluene-4-sulfonyl)-piperazin-1-ylmethyl]-phenol::4-isopropyl-2-[(4-tosylpiperazino)methyl]phenol::MLS000084752::SMR000019098::cid_1040497 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45380&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1040497 252625980 ZINC19313364 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83704 CC(=O)n1nc2nc(C)cc(C)c2c1N InChI=1S/C10H12N4O/c1-5-4-6(2)12-10-8(5)9(11)14(13-10)7(3)15/h4H,11H2,1-3H3 QUCBBNOPVFRPAV-UHFFFAOYSA-N 40374 1-(3-amino-4,6-dimethyl-2-pyrazolo[3,4-b]pyridinyl)ethanone::1-(3-amino-4,6-dimethyl-pyrazolo[3,4-b]pyridin-2-yl)ethanone::1-(3-amino-4,6-dimethylpyrazolo[3,4-b]pyridin-2-yl)ethanone::1-(3-azanyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-2-yl)ethanone::2-acetyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine::MLS000045822::SMR000028219::cid_3245414 Coagulation factor XII 4812.726667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40374&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3245414 252621199 ZINC03959325 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83705 COc1ccc(cc1OC)C1=NOC(C1)C(=O)Nc1ccc(C)cc1 InChI=1S/C19H20N2O4/c1-12-4-7-14(8-5-12)20-19(22)18-11-15(21-25-18)13-6-9-16(23-2)17(10-13)24-3/h4-10,18H,11H2,1-3H3,(H,20,22) UOLVMVHBQGMZDW-UHFFFAOYSA-N 45381 3-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide::3-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide::3-(3,4-dimethoxyphenyl)-N-(p-tolyl)-2-isoxazoline-5-carboxamide::MLS000092722::SMR000028413::cid_3245417 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45381&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3245417 252625981 ZINC03959316 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83706 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1 InChI=1S/C17H15ClN4O3/c1-24-13-8-5-11(9-14(13)25-2)16(23)22-17(19)20-15(21-22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H2,19,20,21) HGMMYFQNXSPVTA-UHFFFAOYSA-N 33431 3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000048966::SMR000074176::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_1084415 Coagulation factor XII 4703.493333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33431&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1084415 252616339 ZINC00800883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83707 COC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 InChI=1S/C13H13N3O3/c1-8-7-11(17)16-13(14-8)15-10-5-3-9(4-6-10)12(18)19-2/h3-7H,1-2H3,(H2,14,15,16,17) UTNSVGAYDHWYON-UHFFFAOYSA-N 45382 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid methyl ester::4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid methyl ester::MLS000097322::SMR000075911::cid_2791783::methyl 4-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]benzoate::methyl 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate::methyl 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45382&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2791783 252625982 ZINC08602390 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83708 CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12 InChI=1S/C15H13N3O2S2/c1-10-9-11-5-2-3-7-13(11)18(10)22(19,20)14-8-4-6-12-15(14)17-21-16-12/h2-8,10H,9H2,1H3 CVIUMGCPNZDTIU-UHFFFAOYSA-N 45383 4-(2-methylindolin-1-yl)sulfonylpiazthiole::4-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-2,1,3-benzothiadiazole::4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole::MLS000062845::SMR000073763::cid_2943305 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45383&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2943305 252625983 ZINC00378510 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83709 COC(=O)c1cccc(NC(=O)CSc2nnc[nH]2)c1 InChI=1S/C12H12N4O3S/c1-19-11(18)8-3-2-4-9(5-8)15-10(17)6-20-12-13-7-14-16-12/h2-5,7H,6H2,1H3,(H,15,17)(H,13,14,16) GGLBDHZEAFGWRL-UHFFFAOYSA-N 32786 3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid methyl ester::3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid methyl ester::MLS000066623::SMR000082512::cid_2238286::methyl 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate::methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate::methyl 3-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32786&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2238286 252615922 ZINC18154577 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83710 COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1 InChI=1S/C16H15N3O4S/c1-21-11-7-6-10(9-13(11)22-2)15(20)19-16(24-3)17-14(18-19)12-5-4-8-23-12/h4-9H,1-3H3 UJHCYBGLPMMJDH-UHFFFAOYSA-N 32669 (3,4-dimethoxyphenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(3,4-dimethoxyphenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(3,4-dimethoxyphenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone::1-(3,4-dimethoxybenzoyl)-3-(2-furyl)-5-(methylthio)-1H-1,2,4-triazole::MLS000049344::SMR000075230::cid_976363 Coagulation factor XII 769.103333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32669&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 976363 252615807 ZINC00618525 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83711 Nc1c(cnn1Cc1ccc(Cl)cc1)C#N InChI=1S/C11H9ClN4/c12-10-3-1-8(2-4-10)7-16-11(14)9(5-13)6-15-16/h1-4,6H,7,14H2 VPYBXOQUUAZRKG-UHFFFAOYSA-N 45384 5-amino-1-(4-chlorobenzyl)-1H-pyrazole-4-carbonitrile::5-amino-1-(4-chlorobenzyl)pyrazole-4-carbonitrile::5-amino-1-[(4-chlorophenyl)methyl]-4-pyrazolecarbonitrile::5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile::5-azanyl-1-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile::MLS000061640::SMR000069971::cid_815333 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45384&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 815333 252625984 ZINC00328043 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83712 Cc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1 InChI=1S/C17H16N4O/c1-12-7-9-14(10-8-12)16-19-17(18)21(20-16)15(22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,20) RLMDHZHCYICOEW-UHFFFAOYSA-N 33432 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::1-[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::3-(4-methylphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000049087::SMR000074381::cid_974955 Coagulation factor XII 6256.446667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 974955 252616340 ZINC00616167 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83713 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC=C)c1ccc(F)cc1 InChI=1S/C18H19FN2O4S/c1-3-12-20-18(22)13-21(15-6-4-14(19)5-7-15)26(23,24)17-10-8-16(25-2)9-11-17/h3-11H,1,12-13H2,2H3,(H,20,22) FTKFYLWDLXFAOQ-UHFFFAOYSA-N 45385 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-prop-2-enylacetamide::2-[(4-fluorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-prop-2-enyl-ethanamide::MLS000051454::N-allyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonyl-anilino)acetamide::N~1~-allyl-N~2~-(4-fluorophenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide::SMR000079803::cid_2224487 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45385&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2224487 252625985 ZINC02871815 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83714 Cc1onc(c1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C17H12N4O2/c1-11-15(16(19-23-11)12-7-3-2-4-8-12)17(22)21-14-10-6-5-9-13(14)18-20-21/h2-10H,1H3 XWEWIQCAIBLPHV-UHFFFAOYSA-N 33433 1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1H-1,2,3-benzotriazole::1-benzotriazolyl-(5-methyl-3-phenyl-4-isoxazolyl)methanone::MLS000099557::SMR000071313::benzotriazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone::benzotriazol-1-yl-(5-methyl-3-phenyl-isoxazol-4-yl)methanone::cid_1121978 Coagulation factor XII 3973.366667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33433&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1121978 252616341 ZINC00859741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83715 CCSc1ccccc1C(=O)n1nnc2ccccc12 InChI=1S/C15H13N3OS/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3 PAADVYQHTJOJPN-UHFFFAOYSA-N 32787 1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole::1-benzotriazolyl-[2-(ethylthio)phenyl]methanone::MLS000050138::SMR000077231::benzotriazol-1-yl-(2-ethylsulfanylphenyl)methanone::benzotriazol-1-yl-[2-(ethylthio)phenyl]methanone::cid_2212050 Coagulation factor XII 10321.31333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32787&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2212050 252615923 ZINC02858701 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83716 Cc1occc1C(=O)n1nnc2ccccc12 InChI=1S/C12H9N3O2/c1-8-9(6-7-17-8)12(16)15-11-5-3-2-4-10(11)13-14-15/h2-7H,1H3 DTUKMQFBFZXVKB-UHFFFAOYSA-N 33434 1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(2-methyl-3-furanyl)methanone::MLS000066844::SMR000072033::benzotriazol-1-yl-(2-methyl-3-furyl)methanone::benzotriazol-1-yl-(2-methylfuran-3-yl)methanone::cid_898637 Coagulation factor XII 8961.41 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 898637 252616342 ZINC00476593 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83717 COc1ccccc1C(=O)n1nc(nc1N)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c1-23-13-5-3-2-4-12(13)15(22)21-16(18)19-14(20-21)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20) DBMRKGDJNJUXND-UHFFFAOYSA-N 33435 3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000096819::SMR000074510::[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_975143 Coagulation factor XII 5407.236667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 975143 252616343 ZINC00616538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83718 O=c1n(Cc2ccccc2)cnc2c(C#N)c3CCCCn3c12 InChI=1S/C18H16N4O/c19-10-14-15-8-4-5-9-22(15)17-16(14)20-12-21(18(17)23)11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2 RPYXBCYDZWSQKJ-UHFFFAOYSA-N 45386 3-benzyl-4-keto-6,7,8,9-tetrahydropyrimid[4,5-b]indolizine-10-carbonitrile::3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile::3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::4-oxidanylidene-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::4-oxo-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::MLS000053119::SMR000069386::cid_755498 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45386&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 755498 252625986 ZINC00210173 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83719 CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 InChI=1S/C24H24ClN5O2S/c1-2-30-23(21-15-17-14-18(25)8-9-20(17)32-21)26-27-24(30)33-16-22(31)29-12-10-28(11-13-29)19-6-4-3-5-7-19/h3-9,14-15H,2,10-13,16H2,1H3 XHJCGKGBOXIPKJ-UHFFFAOYSA-N 42385 1-({[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetyl)-4-phenylpiperazine::2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone::2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone::MLS000050220::SMR000077364::cid_2958440 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=42385&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2958440 252623086 ZINC04058306 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83720 CSc1nc(nn1C(=O)c1cccs1)-c1ccco1 InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3 WAZLNMJDGBJWQY-UHFFFAOYSA-N 32671 3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1H-1,2,4-triazole::MLS000063602::SMR000075208::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-thienyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::cid_976329 Coagulation factor XII 11614.71667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32671&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 976329 252615809 ZINC00618475 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83721 COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O3/c1-20-10-6-3-2-5-9(10)13(19)18-14(15)16-12(17-18)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,17) BGOHEHPDIIPCBT-UHFFFAOYSA-N 33436 3-(2-furyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine::MLS000099528::SMR000074220::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_969710 Coagulation factor XII 2481.16 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33436&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969710 252616344 ZINC00608724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83722 Cc1ccc(NC(=O)CSCC(N)=O)cc1C InChI=1S/C12H16N2O2S/c1-8-3-4-10(5-9(8)2)14-12(16)7-17-6-11(13)15/h3-5H,6-7H2,1-2H3,(H2,13,15)(H,14,16) AKHAZTNCFSWKCN-UHFFFAOYSA-N 45387 2-[(2-amino-2-oxoethyl)thio]-N-(3,4-dimethylphenyl)acetamide::2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide::2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanamide::2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]acetamide::2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide::MLS000051968::SMR000081178::cid_1249855 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45387&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1249855 252625987 ZINC01059335 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83723 Cc1cnn(c1)C(=S)NCc1ccc(Cl)cc1 InChI=1S/C12H12ClN3S/c1-9-6-15-16(8-9)12(17)14-7-10-2-4-11(13)5-3-10/h2-6,8H,7H2,1H3,(H,14,17) ZUJCUEIOIFKOOY-UHFFFAOYSA-N 45388 MLS000097240::N-(4-chlorobenzyl)-4-methyl-1H-pyrazole-1-carbothioamide::N-(4-chlorobenzyl)-4-methyl-pyrazole-1-carbothioamide::N-[(4-chlorophenyl)methyl]-4-methyl-1-pyrazolecarbothioamide::N-[(4-chlorophenyl)methyl]-4-methyl-pyrazole-1-carbothioamide::N-[(4-chlorophenyl)methyl]-4-methylpyrazole-1-carbothioamide::SMR000076862::cid_970944 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45388&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970944 252625988 ZINC06492363 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83724 NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12 InChI=1S/C13H16N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h8H,1-6H2,(H2,14,16)(H,15,17) RFMLAKZJWGLPEF-UHFFFAOYSA-N 42783 MLS000065653::N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxolanecarboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)tetrahydrofuran-2-carboxamide::N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]tetrahydro-2-furancarboxamide::SMR000080296::cid_2970466 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=42783&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2970466 252623474 ZINC04195956 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83725 CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 InChI=1S/C14H16N4O4S/c1-2-22-10-13(19)17-11-4-6-12(7-5-11)23(20,21)18-14-15-8-3-9-16-14/h3-9H,2,10H2,1H3,(H,17,19)(H,15,16,18) LDYNYSLUFIZKOC-UHFFFAOYSA-N 45389 2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide::2-ethoxy-N-[4-(2-pyrimidylsulfamoyl)phenyl]acetamide::2-ethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide::2-ethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide::2-ethoxy-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}acetamide::MLS000096906::SMR000074660::cid_2163156 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45389&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2163156 252625989 ZINC02735981 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83726 CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22) VUWARVVMIAAMOY-UHFFFAOYSA-N 32672 MLS000097371::N-[4-(1H-1,2,3-benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butyramide::N-[4-[1-benzotriazolyl(oxo)methyl]phenyl]butanamide::SMR000076008::cid_2201551 Coagulation factor XII 7103.7 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32672&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2201551 252615810 ZINC02847121 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83727 Cc1ccc(o1)C1C(C(=O)OCC2CCCO2)C(C)=NC2=C1C(=O)CC(C2)c1ccc(F)cc1 InChI=1S/C27H28FNO5/c1-15-5-10-23(34-15)26-24(27(31)33-14-20-4-3-11-32-20)16(2)29-21-12-18(13-22(30)25(21)26)17-6-8-19(28)9-7-17/h5-10,18,20,24,26H,3-4,11-14H2,1-2H3 BFMYSDAILMGSRT-UHFFFAOYSA-N 45390 7-(4-fluorophenyl)-2-methyl-4-(5-methyl-2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester::7-(4-fluorophenyl)-5-keto-2-methyl-4-(5-methyl-2-furyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester::MLS000049315::SMR000075175::cid_2949330::oxolan-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::oxolan-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::tetrahydro-2-furanylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45390&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896656 252625990 ZINC04014631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83728 O=C(c1csc2ccccc12)n1cccn1 InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H PMDFFILEMKLIDC-UHFFFAOYSA-N 32791 1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole::1-benzothiophen-3-yl(1-pyrazolyl)methanone::1-benzothiophen-3-yl(pyrazol-1-yl)methanone::MLS000065687::SMR000080341::benzothiophen-3-yl(pyrazol-1-yl)methanone::cid_841465 Coagulation factor XII 4026.33 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32791&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 841465 252615927 ZINC00371486 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83729 COc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1OC InChI=1S/C15H18N2O4S/c1-20-14-5-3-4-11(15(14)21-2)10-17-12-6-8-13(9-7-12)22(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19) JIUWZCSLRWYYBP-UHFFFAOYSA-N 45391 4-(o-veratrylamino)benzenesulfonamide::4-[(2,3-dimethoxybenzyl)amino]benzenesulfonamide::4-[(2,3-dimethoxyphenyl)methylamino]benzenesulfonamide::MLS000051978::SMR000081203::cid_834458 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45391&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 834458 252625991 ZINC00360394 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83730 Cc1ccc(C)c(c1)C(=O)n1cnnc1N InChI=1S/C11H12N4O/c1-7-3-4-8(2)9(5-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) YZMUEWQJIGOEBX-UHFFFAOYSA-N 45392 (3-amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone::4-(2,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000064102::SMR000075949::cid_925484 Coagulation factor XII 10966.64333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45392&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 925484 252625992 ZINC00514784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83731 COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1 InChI=1S/C15H18N4O3S/c1-9(2)16-13-17-14(19-15(18-13)23-4)22-11-7-5-10(6-8-11)12(20)21-3/h5-9H,1-4H3,(H,16,17,18,19) FDXQXSCHIZXDIE-UHFFFAOYSA-N 45393 4-[[4-(isopropylamino)-6-(methylthio)-s-triazin-2-yl]oxy]benzoic acid methyl ester::4-[[4-(methylthio)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester::MLS000096831::SMR000074530::cid_753419::methyl 4-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate::methyl 4-{[4-(isopropylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45393&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753419 252625993 ZINC00205660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83732 Cc1ccc(o1)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cc1 InChI=1S/C25H28N2O3/c1-14-6-9-17(10-7-14)27-24(29)21-16(3)26-18-12-25(4,5)13-19(28)22(18)23(21)20-11-8-15(2)30-20/h6-11,22-23H,12-13H2,1-5H3,(H,27,29) WFJKPVCDYXVPPB-UHFFFAOYSA-N 45394 2,7,7-trimethyl-4-(5-methyl-2-furanyl)-N-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide::2,7,7-trimethyl-4-(5-methyl-2-furyl)-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide::2,7,7-trimethyl-4-(5-methylfuran-2-yl)-N-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide::2,7,7-trimethyl-4-(5-methylfuran-2-yl)-N-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide::5-keto-2,7,7-trimethyl-4-(5-methyl-2-furyl)-N-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide::MLS000049301::SMR000075143::cid_2949152 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45394&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896657 252625994 ZINC18054351 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83733 Cc1cc(C)n(n1)C(=O)CNc1cccc(Cl)c1C InChI=1S/C14H16ClN3O/c1-9-7-10(2)18(17-9)14(19)8-16-13-6-4-5-12(15)11(13)3/h4-7,16H,8H2,1-3H3 FHLNURIOAVMSFC-UHFFFAOYSA-N 45395 (3-chloro-2-methylphenyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]amine::2-(3-chloro-2-methyl-anilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone::2-(3-chloro-2-methylanilino)-1-(3,5-dimethyl-1-pyrazolyl)ethanone::2-(3-chloro-2-methylanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone::2-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,5-dimethylpyrazol-1-yl)ethanone::MLS000061976::SMR000070837::cid_703700 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45395&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 703700 252625995 ZINC00087029 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83734 CNC(=O)c1ccc(cc1)N(Cc1ccccc1)S(C)(=O)=O InChI=1S/C16H18N2O3S/c1-17-16(19)14-8-10-15(11-9-14)18(22(2,20)21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19) LLZAZVYLGFNWDN-UHFFFAOYSA-N 45396 4-[benzyl(mesyl)amino]-N-methyl-benzamide::4-[benzyl(methylsulfonyl)amino]-N-methylbenzamide::MLS000061882::N-methyl-4-[methylsulfonyl-(phenylmethyl)amino]benzamide::SMR000070742::cid_875239 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45396&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 875239 252625996 ZINC00443517 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83735 COc1ccc(cc1OC)N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O InChI=1S/C18H22N2O5S2/c1-24-15-10-9-13(11-16(15)25-2)20(27(4,22)23)12-18(21)19-14-7-5-6-8-17(14)26-3/h5-11H,12H2,1-4H3,(H,19,21) RYKIBQFGLQKCSB-UHFFFAOYSA-N 45397 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide::2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(methylthio)phenyl]acetamide::2-(N-mesyl-3,4-dimethoxy-anilino)-N-[2-(methylthio)phenyl]acetamide::2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)ethanamide::MLS000097193::N~2~-(3,4-dimethoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide::SMR000076771::cid_2208130 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45397&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2208130 252625997 ZINC02854714 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83736 CN(C)\C=C\c1c(C#N)c(=O)ncn1Cc1ccccc1 InChI=1S/C16H16N4O/c1-19(2)9-8-15-14(10-17)16(21)18-12-20(15)11-13-6-4-3-5-7-13/h3-9,12H,11H2,1-2H3/b9-8+ BMTOXJGOEYQBOF-CMDGGOBGSA-N 45398 1-benzyl-6-[(E)-2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile::1-benzyl-6-[(E)-2-(dimethylamino)vinyl]-4-keto-pyrimidine-5-carbonitrile::1-benzyl-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile::6-[(E)-2-(dimethylamino)ethenyl]-4-oxidanylidene-1-(phenylmethyl)pyrimidine-5-carbonitrile::6-[(E)-2-(dimethylamino)ethenyl]-4-oxo-1-(phenylmethyl)-5-pyrimidinecarbonitrile::MLS000058822::SMR000069088::cid_787457 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45398&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 787457 252625998 ZINC49573775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83737 Cc1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1 InChI=1S/C14H13N3O2S/c1-7-4-5-10-8(2)12(19-11(10)6-7)13(18)15-14-17-16-9(3)20-14/h4-6H,1-3H3,(H,15,17,18) OBFFXAQNXSRJES-UHFFFAOYSA-N 45399 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide::3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-benzofurancarboxamide::3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)coumarilamide::MLS000065315::SMR000078992::cid_2219584 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45399&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2219584 252625999 ZINC02866567 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83738 COc1cccc(C(=O)n2cnnc2N)c1OC InChI=1S/C11H12N4O3/c1-17-8-5-3-4-7(9(8)18-2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) NKPSSJSMZHHWJT-UHFFFAOYSA-N 40384 (3-amino-1,2,4-triazol-4-yl)-(2,3-dimethoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(2,3-dimethoxyphenyl)methanone::4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine::MLS000099877::SMR000080908::cid_2226284 Coagulation factor XII 3640.303333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40384&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2226284 252621209 ZINC02873702 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83739 COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1 InChI=1S/C16H15N5O2/c1-23-13-6-4-11(5-7-13)9-14(22)21-16(17)19-15(20-21)12-3-2-8-18-10-12/h2-8,10H,9H2,1H3,(H2,17,19,20) GTLWZDWHNMMHMP-UHFFFAOYSA-N 33581 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-[(4-methoxyphenyl)acetyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::MLS000064365::SMR000076607::cid_970094 Coagulation factor XII 936.573333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33581&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970094 252616486 ZINC00609406 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83740 CCCC(=O)n1nc(nc1N)-c1ccc(OC)cc1 InChI=1S/C13H16N4O2/c1-3-4-11(18)17-13(14)15-12(16-17)9-5-7-10(19-2)8-6-9/h5-8H,3-4H2,1-2H3,(H2,14,15,16) UQEBKUFDCAZKBC-UHFFFAOYSA-N 33438 1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-butanone::1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]butan-1-one::1-[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]butan-1-one::1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine::MLS000099450::SMR000074044::cid_753275 Coagulation factor XII 24502.97633 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33438&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753275 252616346 ZINC00205341 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83741 O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2OCOc2c1 InChI=1S/C21H16N2O4/c24-19(22-10-13-7-8-17-18(9-13)27-12-26-17)11-23-16-6-2-4-14-3-1-5-15(20(14)16)21(23)25/h1-9H,10-12H2,(H,22,24) VIOFFMUTCIKSLZ-UHFFFAOYSA-N 45400 2-(2-ketobenzo[cd]indol-1-yl)-N-piperonyl-acetamide::MLS000049935::N-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxidanylidenebenzo[cd]indol-1-yl)ethanamide::N-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxo-1-benzo[cd]indolyl)acetamide::N-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide::N-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide::SMR000077033::cid_1090648 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45400&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1090648 252626000 ZINC00810417 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83742 Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1 InChI=1S/C10H4F5N3OS/c1-2-17-18-10(20-2)16-9(19)3-4(11)6(13)8(15)7(14)5(3)12/h1H3,(H,16,18,19) FXHQYTMYNYBDPH-UHFFFAOYSA-N 45401 2,3,4,5,6-pentafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide::2,3,4,5,6-pentakis(fluoranyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide::MLS000063007::SMR000071710::cid_2164196 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45401&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2164196 252626001 ZINC02740785 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83743 COc1cc(Cl)c(C)cc1NC(=O)CSC InChI=1S/C11H14ClNO2S/c1-7-4-9(13-11(14)6-16-3)10(15-2)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14) VAPBMRQMZKGJIW-UHFFFAOYSA-N 45402 MLS000066135::N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-methylsulfanyl-ethanamide::N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(methylthio)acetamide::N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylthio)acetamide::N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide::SMR000079688::cid_734363 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45402&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 734363 252626002 ZINC00149898 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83744 Nc1nc(nn1C(=O)Cc1ccccc1)-c1cccnc1 InChI=1S/C15H13N5O/c16-15-18-14(12-7-4-8-17-10-12)19-20(15)13(21)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,16,18,19) UQFXNLGTCOBRMQ-UHFFFAOYSA-N 33439 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenylethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::MLS000050055::SMR000077068::cid_971620 Coagulation factor XII 1511.586667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971620 252616347 ZINC00611509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83745 c1csc(c1)-c1nc2ccccc2[nH]1 InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) XXCGVPNWMZKOER-UHFFFAOYSA-N 50180723 2-(thiophen-2-yl)-1H-benzo[d]imidazole::2-thiophene-2-yl-1H-benzoimidazole::CHEMBL201221::cid_506600 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180723&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 506600 104065692 CHEMBL201221 ZINC00133515 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83746 COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2CCCc12 InChI=1S/C14H12BrNO3S2/c1-19-14(18)11-7-3-2-4-8(7)21-13(11)16-12(17)9-5-6-10(15)20-9/h5-6H,2-4H2,1H3,(H,16,17) ZDVVDPVIAGPVID-UHFFFAOYSA-N 45403 2-[(5-bromothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester::2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester::MLS000051751::SMR000080683::cid_1246977::methyl 2-[(5-bromanylthiophen-2-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate::methyl 2-[(5-bromothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate::methyl 2-{[(5-bromo-2-thienyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Coagulation factor XII 44435.68333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45403&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1246977 252626003 ZINC01055721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83747 COc1ccccc1C(=O)n1nc(nc1N)-c1ccccc1 InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)20-16(17)18-14(19-20)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19) XFOFNRPAKUBICP-UHFFFAOYSA-N 45404 (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine::MLS000099470::SMR000074078::cid_895500 Coagulation factor XII 2241.273333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45404&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 895500 252626004 ZINC00472506 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83748 COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl InChI=1S/C16H18ClNO5/c1-22-13-8-12(14(23-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21) SCRJBRSRHBQGTB-UHFFFAOYSA-N 45405 6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[(4-chloro-2,5-dimethoxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid::6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-{[(4-chloro-2,5-dimethoxyphenyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid::MLS000088563::SMR000071846::cid_3246787 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45405&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3246787 252626005 ZINC00475044 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83749 Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12 InChI=1S/C17H18N2O2/c1-11-15-13(9-17(2,3)10-14(15)20)19(18-11)16(21)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3 CEUZPNLOWRYWGA-UHFFFAOYSA-N 32794 1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one::1-benzoyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one::3,6,6-trimethyl-1-(phenylcarbonyl)-5,7-dihydroindazol-4-one::MLS000060946::SMR000069174::cid_749826 Coagulation factor XII 2991.11 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32794&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 749826 252615930 ZINC00197530 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83750 COc1ccc(cc1OC)C(=O)n1nc(C)cc1C InChI=1S/C14H16N2O3/c1-9-7-10(2)16(15-9)14(17)11-5-6-12(18-3)13(8-11)19-4/h5-8H,1-4H3 HQUSXGZKUOWKDF-UHFFFAOYSA-N 45406 (3,4-dimethoxyphenyl)-(3,5-dimethyl-1-pyrazolyl)methanone::(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone::1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole::MLS000061415::SMR000069311::cid_753833 Coagulation factor XII 13504.98 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45406&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753833 252626006 ZINC00206780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83751 COc1ccc(cc1Br)C(=O)n1nnc2ccccc12 InChI=1S/C14H10BrN3O2/c1-20-13-7-6-9(8-10(13)15)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3 XLPOTRXTNFLNRD-UHFFFAOYSA-N 32675 1-(3-bromo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole::1-benzotriazolyl-(3-bromo-4-methoxyphenyl)methanone::MLS000048314::SMR000073685::benzotriazol-1-yl-(3-bromanyl-4-methoxy-phenyl)methanone::benzotriazol-1-yl-(3-bromo-4-methoxy-phenyl)methanone::benzotriazol-1-yl-(3-bromo-4-methoxyphenyl)methanone::cid_833492 Coagulation factor XII 10687.73333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32675&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 833492 252615813 ZINC00358984 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83752 Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)N1CCC2(CC1)OCCO2 InChI=1S/C17H18Cl2N2O4/c18-12-2-1-11(9-13(12)19)14-10-15(25-20-14)16(22)21-5-3-17(4-6-21)23-7-8-24-17/h1-2,9,15H,3-8,10H2 VCFOJVZSNWAFNN-UHFFFAOYSA-N 45407 8-{[3-(3,4-dichlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane::MLS000064499::SMR000078269::[3-(3,4-dichlorophenyl)-2-isoxazolin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::[3-(3,4-dichlorophenyl)-4,5-dihydroisoxazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::cid_2962212 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45407&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2962212 252626007 ZINC01126243 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83753 Cc1ccc(cc1C)C(=O)n1cnnc1N InChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) NLGIEPHLRWKDDF-UHFFFAOYSA-N 32795 (3-amino-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063159::SMR000072096::cid_887464 Coagulation factor XII 2982.886667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32795&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 887464 252615931 ZINC00460933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83754 Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccc1 InChI=1S/C16H14N4O/c17-16-18-15(13-9-5-2-6-10-13)19-20(16)14(21)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19) OWRFGLQQIWZWDX-UHFFFAOYSA-N 33440 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone::1-(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-2-phenyl-ethanone::3-phenyl-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000099520::SMR000074206::cid_969682 Coagulation factor XII 3206.893333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33440&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969682 252616348 ZINC00608680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83755 COc1cc(C)c(cc1C)S(=O)(=O)NCc1cccs1 InChI=1S/C14H17NO3S2/c1-10-8-14(11(2)7-13(10)18-3)20(16,17)15-9-12-5-4-6-19-12/h4-8,15H,9H2,1-3H3 YCOUOYHRCJNLTA-UHFFFAOYSA-N 45408 4-methoxy-2,5-dimethyl-N-(2-thenyl)benzenesulfonamide::4-methoxy-2,5-dimethyl-N-(2-thienylmethyl)benzenesulfonamide::4-methoxy-2,5-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide::MLS000066673::SMR000082026::cid_1256404 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45408&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1256404 252626008 ZINC01067559 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83756 Cc1cc(C)cc(c1)C(=O)n1cnnc1N InChI=1S/C11H12N4O/c1-7-3-8(2)5-9(4-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) DCEIJDRLZJWLKF-UHFFFAOYSA-N 32676 (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063609::SMR000075231::cid_912604 Coagulation factor XII 1401.053333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32676&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 912604 252615814 ZINC00496741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83757 Nc1nc(nn1C(=O)c1ccco1)-c1cccnc1 InChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16) LCKQEPFCQQJQSU-UHFFFAOYSA-N 33441 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone::1-(2-furoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000064561::SMR000077158::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-furanyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone::cid_971909 Coagulation factor XII 12529.52 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971909 252616349 ZINC00611874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83758 COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C InChI=1S/C15H14ClN3O3S2/c1-19-14(17-18-15(19)23-7-11(20)22-3)13-12(16)9-5-4-8(21-2)6-10(9)24-13/h4-6H,7H2,1-3H3 PFIWHBHLHHZXNR-UHFFFAOYSA-N 45409 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::MLS000096899::SMR000074647::cid_1303890::methyl 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate::methyl 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate::methyl {[5-(3-chloro-6-methoxy-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45409&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1303890 252626009 ZINC01128402 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83759 CCOCCn1c(nc2ccccc12)-c1ccc(OC)cc1 InChI=1S/C18H20N2O2/c1-3-22-13-12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-2)11-9-14/h4-11H,3,12-13H2,1-2H3 NBCURTAYHLMSQJ-UHFFFAOYSA-N 45410 1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole::MLS000115803::SMR000092819::cid_3507993 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45410&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3507993 252626010 ZINC12411241 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83760 O=C(NCCN1C(=O)C2C3CC(C=C3)C2C1=O)Nc1ccccc1 InChI=1S/C18H19N3O3/c22-16-14-11-6-7-12(10-11)15(14)17(23)21(16)9-8-19-18(24)20-13-4-2-1-3-5-13/h1-7,11-12,14-15H,8-10H2,(H2,19,20,24) DHFHJLRUFGWPSJ-UHFFFAOYSA-N 45411 MLS000114588::SMR000091943::cid_5307221 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45411&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5307221 242053063 ZINC03905692 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83761 CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1 InChI=1S/C15H13N3O2S/c1-10-5-7-11(8-6-10)14(19)18-15(21-2)16-13(17-18)12-4-3-9-20-12/h3-9H,1-2H3 QOLOIIDNXILJRE-UHFFFAOYSA-N 32796 MLS000115326::SMR000092470::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_1088428 Coagulation factor XII 2462.64 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32796&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1088428 252615932 ZINC00807055 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83762 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19) YLUMVCNEFHTQHD-UHFFFAOYSA-N 33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668 Coagulation factor XII 502.963333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971668 252616506 ZINC00611571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83763 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc1nc(C)cs1 InChI=1S/C18H22N4O5S2/c1-10(2)7-13(16(23)20-17-19-11(3)9-28-17)21-29(25,26)12-5-6-14-15(8-12)27-18(24)22(14)4/h5-6,8-10,13,21H,7H2,1-4H3,(H,19,20,23) JMLQXIMJGGOFOG-UHFFFAOYSA-N 45412 2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-methyl-N-(4-methylthiazol-2-yl)valeramide::4-methyl-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)pentanamide::4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)pentanamide::4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-methyl-2-thiazolyl)pentanamide::MLS000118022::SMR000094970::cid_5307686 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45412&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5307686 252626011 ZINC06577962 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83764 CSc1nc(nn1C(=O)c1ccco1)-c1ccco1 InChI=1S/C12H9N3O3S/c1-19-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-18-9/h2-7H,1H3 REZYNFOIWKOLBD-UHFFFAOYSA-N 32797 2-furanyl-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::2-furyl-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::MLS000115327::SMR000092471::cid_977002::furan-2-yl-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone Coagulation factor XII 4838.803333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32797&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 977002 252615933 ZINC00619461 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83765 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C InChI=1S/C21H22FN3O5S/c1-4-29-19-10-8-18(9-11-19)25(31(27,28)21-14(2)24-30-15(21)3)13-20(26)23-17-7-5-6-16(22)12-17/h5-12H,4,13H2,1-3H3,(H,23,26) SCHAXPQHOGRLLW-UHFFFAOYSA-N 45413 2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-ethoxy-anilino)-N-(3-fluorophenyl)acetamide::2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]-N-(3-fluorophenyl)ethanamide::2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-fluorophenyl)acetamide::2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino]-N-(3-fluorophenyl)acetamide::MLS000117390::SMR000094340::cid_5307744 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45413&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5307744 252626012 ZINC06577937 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83766 COc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)nn(C)c1C InChI=1S/C23H26N4O6S/c1-15-23(16(2)26(3)25-15)34(29,30)27(18-6-8-19(31-4)9-7-18)14-22(28)24-17-5-10-20-21(13-17)33-12-11-32-20/h5-10,13H,11-12,14H2,1-4H3,(H,24,28) SXXXIEIYMIJFQE-UHFFFAOYSA-N 45414 MLS000117370::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-anilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-amino]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methoxy-N-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]anilino]acetamide::SMR000094320::cid_5307831 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45414&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5307831 252626013 ZINC06577904 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83767 Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 InChI=1S/C20H32N4O3S/c1-15-19(16(2)23(3)22-15)28(26,27)24-13-10-18(11-14-24)20(25)21-12-9-17-7-5-4-6-8-17/h7,18H,4-6,8-14H2,1-3H3,(H,21,25) GADXWBJJAUFVDI-UHFFFAOYSA-N 33602 MLS000117044::N-[2-(1-cyclohexenyl)ethyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-isonipecotamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide::SMR000093998::cid_5308059 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33602&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5308059 252616507 ZINC05005315 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83768 Cc1nc2nc(C)cc(Nc3ccc(C)c(C)c3)n2n1 InChI=1S/C15H17N5/c1-9-5-6-13(7-10(9)2)18-14-8-11(3)16-15-17-12(4)19-20(14)15/h5-8,18H,1-4H3 XRJCWTJMHMNQSW-UHFFFAOYSA-N 45415 (3,4-dimethylphenyl)-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amine::MLS000116616::N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::SMR000093581::cid_5308127 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45415&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5308127 252626014 ZINC04822243 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83769 COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 InChI=1S/C17H16ClN5O4S/c1-9(15(25)27-2)28-17-22-21-13(7-11-8-14(24)20-16(26)19-11)23(17)12-5-3-10(18)4-6-12/h3-6,8-9H,7H2,1-2H3,(H2,19,20,24,26) MRCNDDUCNRIRIX-UHFFFAOYSA-N 45416 2-[[4-(4-chlorophenyl)-5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]propionic acid methyl ester::2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester::MLS000117351::SMR000094301::cid_4459896::methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate::methyl 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45416&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4459896 252626015 ZINC06577726 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83770 COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1 InChI=1S/C20H17FN2O3/c1-25-15-7-9-16-13(10-15)4-8-17-18(23-26-19(16)17)20(24)22-11-12-2-5-14(21)6-3-12/h2-3,5-7,9-10H,4,8,11H2,1H3,(H,22,24) YYUWGYKGKYKEOC-UHFFFAOYSA-N 40913 MLS000116425::N-(4-fluorobenzyl)-7-methoxy-4,5-dihydrobenz[g]indoxazene-3-carboxamide::N-[(4-fluorophenyl)methyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide::SMR000093402::cid_5308666 Coagulation factor XII 3606.86 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40913&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5308666 252621696 ZINC03909475 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83771 CC1CN(CCN1c1cccc(C)c1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O InChI=1S/C26H28N4O2/c1-17-8-7-9-19(14-17)30-13-12-29(16-18(30)2)26(32)23-15-21-24(27(23)3)20-10-5-6-11-22(20)28(4)25(21)31/h5-11,14-15,18H,12-13,16H2,1-4H3 LFPXHKWMBLPDQD-UHFFFAOYSA-N 45417 1,5-dimethyl-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-pyrrolo[3,2-c]quinolin-4-one::1,5-dimethyl-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolo[3,2-c]quinolin-4-one::1,5-dimethyl-2-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]pyrrolo[3,2-c]quinolin-4-one::1,5-dimethyl-2-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-pyrrolo[3,2-c]quinolinone::MLS000118118::SMR000095066::cid_5309034 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45417&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5309034 252626016 ZINC06577353 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83772 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1 InChI=1S/C14H14ClN5O3/c15-10-3-1-9(2-4-10)12(21)20-14(16)17-11(18-20)13(22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H2,16,17,18) VCXQPXLAECQIKZ-UHFFFAOYSA-N 33609 (5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::MLS000115334::SMR000092476::[5-amino-3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-[4-morpholinyl(oxo)methyl]-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_3586649 Coagulation factor XII 4502.66 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33609&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3586649 252616514 ZINC03647297 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83773 Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccc(C)cc1 InChI=1S/C23H24N2O4S/c1-16-7-9-19(10-8-16)23-24-21(17(2)29-23)14-30(27,28)15-22(26)25-12-11-18-5-3-4-6-20(18)13-25/h3-10H,11-15H2,1-2H3 GCVQIGHVKKCWJF-UHFFFAOYSA-N 45418 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylsulfonyl]ethanone::MLS000117702::SMR000094650::cid_5309336 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45418&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5309336 252626017 ZINC06577200 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83774 COc1ccc(cc1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2ncnn12 InChI=1S/C21H21N5O3/c1-13-18(20(27)25-16-6-4-5-7-17(16)29-3)19(26-21(24-13)22-12-23-26)14-8-10-15(28-2)11-9-14/h4-12,18-19H,1-3H3,(H,25,27) ZTLHXVCKKPQTCM-UHFFFAOYSA-N 45419 MLS000114582::N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide::SMR000091938::cid_5309457 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45419&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896658 252626018 ZINC13131401 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83775 Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1 InChI=1S/C15H14FN5OS/c1-9-7-10(2)21-14(17-9)19-15(20-21)23-8-13(22)18-12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,18,22) KIYHBSWBCQZPFD-UHFFFAOYSA-N 45420 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide::2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide::2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(4-fluorophenyl)acetamide::MLS000119189::SMR000096118::cid_715198 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45420&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 715198 252626019 ZINC00111509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83776 Cc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 InChI=1S/C17H13BrN4S/c1-11-2-4-13(5-3-11)16-19-20-17-22(16)21-15(10-23-17)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3 GPSPWPSEXWUAEZ-UHFFFAOYSA-N 40100 6-(4-bromophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine::6-(4-bromophenyl)-3-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine::MLS000115428::SMR000092532::cid_1310031 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40100&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1310031 252620930 ZINC06301075 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83777 CCOc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)noc1C InChI=1S/C23H25N3O7S/c1-4-30-19-8-6-18(7-9-19)26(34(28,29)23-15(2)25-33-16(23)3)14-22(27)24-17-5-10-20-21(13-17)32-12-11-31-20/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,27) XLULZGUPCZTUOV-UHFFFAOYSA-N 45421 MLS000117394::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-ethoxy-anilino)acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino]acetamide::SMR000094344::cid_5309870 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45421&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5309870 252626020 ZINC06530881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83778 CC(=O)N1CCc2c(C1)sc(NC(=O)C1CC1)c2-c1nc2ccccc2s1 InChI=1S/C20H19N3O2S2/c1-11(24)23-9-8-13-16(10-23)27-20(22-18(25)12-6-7-12)17(13)19-21-14-4-2-3-5-15(14)26-19/h2-5,12H,6-10H2,1H3,(H,22,25) XSUNHXBHUIAZQE-UHFFFAOYSA-N 45422 MLS000103204::N-[3-(1,3-benzothiazol-2-yl)-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide::N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide::SMR000018639::cid_3703459 Coagulation factor XII 25743.63 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45422&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3703459 252626021 ZINC04275247 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83779 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N2CCOCC2)cc1 InChI=1S/C21H21ClN2O4S/c22-17-7-5-16(6-8-17)13-24-14-20(18-3-1-2-4-19(18)24)29(26,27)15-21(25)23-9-11-28-12-10-23/h1-8,14H,9-13,15H2 XEQLEJOYFXRZGE-UHFFFAOYSA-N 45423 2-[1-(4-chlorobenzyl)indol-3-yl]sulfonyl-1-morpholino-ethanone::2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-yl-ethanone::2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfonyl-1-morpholin-4-ylethanone::2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]sulfonyl]-1-(4-morpholinyl)ethanone::MLS000101473::SMR000017800::cid_2157647 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45423&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2157647 252626022 ZINC02722272 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83780 COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)Nc1ccc2OCOc2c1)C(F)(F)F InChI=1S/C22H19F3N4O4/c1-31-14-5-2-12(3-6-14)15-9-19(22(23,24)25)29-20(27-15)10-16(28-29)21(30)26-13-4-7-17-18(8-13)33-11-32-17/h2-8,10,15,19,27H,9,11H2,1H3,(H,26,30) SCYPWAIDGDEJCR-UHFFFAOYSA-N 45424 MLS000109822::N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide::SMR000105759::cid_5310620 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45424&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5310620 252626023 ZINC12468866 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83781 OC(=O)CC(Cc1ccc(Br)cc1)C(O)=O InChI=1S/C11H11BrO4/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-4,8H,5-6H2,(H,13,14)(H,15,16) YEFKUOATBCIQGW-UHFFFAOYSA-N 45425 2-(4-bromobenzyl)succinic acid::2-[(4-bromophenyl)methyl]butanedioic acid::MLS000104991::SMR000054920::cid_3091372 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45425&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3091372 252626024 ZINC04771468 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83782 CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2CCCCc12 InChI=1S/C16H16BrNO4S/c1-2-21-16(20)13-9-5-3-4-6-11(9)23-15(13)18-14(19)10-7-8-12(17)22-10/h7-8H,2-6H2,1H3,(H,18,19) FVBABWGNUZSORX-UHFFFAOYSA-N 45426 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::MLS000106695::SMR000111072::cid_1100907::ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1100907 252626025 ZINC00825645 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83783 CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C InChI=1S/C16H13NO4/c1-10(18)14-15(21-16(19)13-8-5-9-20-13)11-6-3-4-7-12(11)17(14)2/h3-9H,1-2H3 AIPGCMWCXBZZQF-UHFFFAOYSA-N 32798 (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate::(2-ethanoyl-1-methyl-indol-3-yl) furan-2-carboxylate::2-furancarboxylic acid (2-acetyl-1-methyl-3-indolyl) ester::MLS000113519::SMR000109417::cid_805223::furan-2-carboxylic acid (2-acetyl-1-methyl-indol-3-yl) ester Coagulation factor XII 11171.81 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32798&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 805223 252615934 ZINC00314492 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83784 Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1 InChI=1S/C20H24N2O2/c1-15-11-16(2)13-19(12-15)24-14-20(23)21-17-5-7-18(8-6-17)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,21,23) RCLFLJSSFWROMF-UHFFFAOYSA-N 40990 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide::2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)ethanamide::2-(3,5-dimethylphenoxy)-N-(4-pyrrolidinophenyl)acetamide::2-(3,5-dimethylphenoxy)-N-[4-(1-pyrrolidinyl)phenyl]acetamide::MLS000112626::SMR000108537::cid_960705 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40990&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 960705 252621769 ZINC00570054 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83785 CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)NC1CCCCC1O InChI=1S/C21H26N2O4S/c1-28(26,27)23(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)21(25)22-19-9-5-6-10-20(19)24/h2-4,7-8,11-14,19-20,24H,5-6,9-10,15H2,1H3,(H,22,25) BNGDWMKTNLFHLZ-UHFFFAOYSA-N 45427 4-[benzyl(mesyl)amino]-N-(2-hydroxycyclohexyl)benzamide::4-[benzyl(methylsulfonyl)amino]-N-(2-hydroxycyclohexyl)benzamide::4-[methylsulfonyl-(phenylmethyl)amino]-N-(2-oxidanylcyclohexyl)benzamide::MLS000108175::N-(2-hydroxycyclohexyl)-4-[methylsulfonyl-(phenylmethyl)amino]benzamide::SMR000104137::cid_2865441 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45427&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2865441 252626026 ZINC04852407 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83786 CC(C)(C)SCCNS(=O)(=O)c1ccccc1 InChI=1S/C12H19NO2S2/c1-12(2,3)16-10-9-13-17(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3 JZCSSWGQCGUTIB-UHFFFAOYSA-N 37248 MLS000112230::N-(2-tert-butylsulfanylethyl)benzenesulfonamide::N-[2-(tert-butylthio)ethyl]benzenesulfonamide::SMR000108144::cid_2277133 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=37248&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2277133 252618219 ZINC02976117 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83787 Cc1nc2scc(-c3cccs3)c2c(=O)o1 InChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3 DGPHFMOEGCZWOK-UHFFFAOYSA-N 40930 2-methyl-5-(2-thienyl)thieno[2,3-d][1,3]oxazin-4-one::2-methyl-5-thiophen-2-yl-4-thieno[2,3-d][1,3]oxazinone::2-methyl-5-thiophen-2-yl-thieno[2,3-d][1,3]oxazin-4-one::2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one::MLS000113430::SMR000109329::cid_804822 Coagulation factor XII 29262.36667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40930&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 804822 252621713 ZINC00313837 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83788 FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(n[nH]1)-c1ccccc1 InChI=1S/C13H8F8N2/c14-10(15)12(18,19)13(20,21)11(16,17)9-6-8(22-23-9)7-4-2-1-3-5-7/h1-6,10H,(H,22,23) ZWSZMCHCLUELLC-UHFFFAOYSA-N 32799 5-(1,1,2,2,3,3,4,4-octafluorobutyl)-3-phenyl-1H-pyrazole::5-[1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-3-phenyl-1H-pyrazole::MLS000106686::SMR000111063::cid_2249931 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32799&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2249931 252615935 ZINC02901662 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83789 CN(C)c1ccc(cc1)C(=S)N1CCOCC1 InChI=1S/C13H18N2OS/c1-14(2)12-5-3-11(4-6-12)13(17)15-7-9-16-10-8-15/h3-6H,7-10H2,1-2H3 VUUOTDMHABHTIG-UHFFFAOYSA-N 45428 MLS000105972::SMR000102946::[4-(dimethylamino)phenyl]-(4-morpholinyl)methanethione::[4-(dimethylamino)phenyl]-morpholin-4-yl-methanethione::[4-(dimethylamino)phenyl]-morpholin-4-ylmethanethione::[4-(dimethylamino)phenyl]-morpholino-methanethione::cid_691987 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45428&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 691987 252626027 ZINC00063324 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83790 CN(C(=O)Oc1cccc2cccnc12)c1ccccc1 InChI=1S/C17H14N2O2/c1-19(14-9-3-2-4-10-14)17(20)21-15-11-5-7-13-8-6-12-18-16(13)15/h2-12H,1H3 YBBHRQSZPDDWNW-UHFFFAOYSA-N 45429 MLS000112614::N-methyl-N-phenyl-carbamic acid 8-quinolyl ester::N-methyl-N-phenylcarbamic acid 8-quinolinyl ester::SMR000108526::cid_701779::quinolin-8-yl N-methyl-N-phenyl-carbamate::quinolin-8-yl N-methyl-N-phenylcarbamate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45429&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 701779 252626028 ZINC00083140 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83791 COc1ccccc1NC(=O)CSc1nnnn1C InChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-5-3-4-6-9(8)18-2/h3-6H,7H2,1-2H3,(H,12,17) MUCFJCBCZAMXJL-UHFFFAOYSA-N 45430 MLS000112923::N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide::N-(2-methoxyphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide::N-(2-methoxyphenyl)-2-[(1-methyl-5-tetrazolyl)thio]acetamide::N-(2-methoxyphenyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide::SMR000108831::cid_2292924 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45430&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2292924 252626029 ZINC02995844 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83792 COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C22H27N3O6S/c1-15-9-11-17(12-10-15)32(29,30)25(18-7-5-6-8-19(18)31-4)14-16(26)13-24-20(27)22(2,3)23-21(24)28/h5-12,16,26H,13-14H2,1-4H3,(H,23,28) GBSRSSHSJWMPNZ-UHFFFAOYSA-N 45431 MLS000109815::N-[3-(2,5-diketo-4,4-dimethyl-imidazolidin-1-yl)-2-hydroxy-propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide::N-[3-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-hydroxypropyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide::N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide::N-[3-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-oxidanyl-propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide::SMR000105752::cid_2884589 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45431&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2884589 252626030 ZINC00864204 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83793 Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O InChI=1S/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3 XUGVMBMQHABPQC-UHFFFAOYSA-N 45432 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione::1,3-dimethyl-6-(phenethylamino)pyrimidine-2,4-quinone::MLS000108228::SMR000104189::cid_777231 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 777231 252626031 ZINC00267668 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83794 COc1cc(OC)cc(c1)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 InChI=1S/C21H23F3N2O3/c1-28-17-11-16(12-18(13-17)29-2)20(27)26-9-7-25(8-10-26)14-15-5-3-4-6-19(15)21(22,23)24/h3-6,11-13H,7-10,14H2,1-2H3 JYZGTYPWUNFLRA-UHFFFAOYSA-N 38756 (3,5-dimethoxyphenyl)-[4-[2-(trifluoromethyl)benzyl]piperazino]methanone::(3,5-dimethoxyphenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone::(3,5-dimethoxyphenyl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone::MLS000106399::SMR000103366::cid_1148190 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38756&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1148190 252619661 ZINC19595046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83795 CC(CCC=C(C)CCC=C(C)C)N=O InChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,13H,5-6,8,10H2,1-4H3 XHWQOAFLRYMXEK-UHFFFAOYSA-N 45433 (5E)-6,10-dimethyl-2-undeca-5,9-dienone oxime::(5E)-6,10-dimethylundeca-5,9-dien-2-one oxime::MLS000105784::N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine::SMR000102761::cid_5310845 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45433&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896659 252626032 ZINC13130981 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83796 Nc1c(sc(=S)n1-c1ccccc1)C(=O)NCc1cccnc1 InChI=1S/C16H14N4OS2/c17-14-13(15(21)19-10-11-5-4-8-18-9-11)23-16(22)20(14)12-6-2-1-3-7-12/h1-9H,10,17H2,(H,19,21) IZHWDKBLHYJPOP-UHFFFAOYSA-N 34555 4-amino-3-phenyl-N-(3-pyridinylmethyl)-2-sulfanylidene-5-thiazolecarboxamide::4-amino-3-phenyl-N-(3-pyridylmethyl)-2-thioxo-4-thiazoline-5-carboxamide::4-amino-3-phenyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide::4-azanyl-3-phenyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide::MLS000111723::SMR000107645::cid_698207 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34555&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 698207 252617212 ZINC00075239 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83797 CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3 DGZHDCOAURPHLR-UHFFFAOYSA-N 38235 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidinyl]ethanone::1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone::1-[4-[4-(2-fluorophenyl)piperazino]piperidino]ethanone::MLS000106452::SMR000103419::cid_743199 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38235&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 743199 252619162 ZINC00182952 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83798 CCC(=O)OCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCOC(=O)CC)c3=O InChI=1S/C20H20N2O8/c1-3-15(23)29-7-5-21-17(25)11-9-13-14(10-12(11)18(21)26)20(28)22(19(13)27)6-8-30-16(24)4-2/h9-10H,3-8H2,1-2H3 AATHMCGKYVGPJC-UHFFFAOYSA-N 45434 2-[1,3,5,7-tetrakis(oxidanylidene)-2-(2-propanoyloxyethyl)pyrrolo[3,4-f]isoindol-6-yl]ethyl propanoate::2-[1,3,5,7-tetraoxo-2-(2-propanoyloxyethyl)pyrrolo[3,4-f]isoindol-6-yl]ethyl propanoate::MLS000107173::SMR000111545::cid_1368289::propanoic acid 2-[1,3,5,7-tetraoxo-2-[2-(1-oxopropoxy)ethyl]-6-pyrrolo[3,4-f]isoindolyl]ethyl ester::propionic acid 2-[1,3,5,7-tetraketo-2-(2-propionyloxyethyl)pyrrol[3,4-f]isoindol-6-yl]ethyl ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1368289 252626033 ZINC01214159 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83799 COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccnc1 InChI=1S/C16H13N5O3/c1-23-15-7-12(8-20-21-10-18-19-11-21)4-5-14(15)24-16(22)13-3-2-6-17-9-13/h2-11H,1H3 IQWJOVUIMLVYFJ-UHFFFAOYSA-N 45435 3-pyridinecarboxylic acid [2-methoxy-4-(1,2,4-triazol-4-yliminomethyl)phenyl] ester::MLS000110084::SMR000106016::[2-methoxy-4-(1,2,4-triazol-4-yliminomethyl)phenyl] pyridine-3-carboxylate::cid_881441::nicotinic acid [2-methoxy-4-(1,2,4-triazol-4-yliminomethyl)phenyl] ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6858842 252626034 ZINC33315453 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83800 O=C(c1ccc2OCOc2c1)n1nnc2ccccc12 InChI=1S/C14H9N3O3/c18-14(9-5-6-12-13(7-9)20-8-19-12)17-11-4-2-1-3-10(11)15-16-17/h1-7H,8H2 GKBXJOCPZBRUIG-UHFFFAOYSA-N 32801 1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone::1,3-benzodioxol-5-yl(benzotriazol-1-yl)methanone::MLS000108681::SMR000104634::cid_737680 Coagulation factor XII 365.953333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32801&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 737680 252615937 ZINC00168641 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83801 CCC(C)NC(=O)C1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C21H27N3O5S2/c1-3-17(2)22-21(25)20-16-23(30(26,27)18-10-6-4-7-11-18)14-15-24(20)31(28,29)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3,(H,22,25) QCOZNACVOHCDTQ-UHFFFAOYSA-N 45436 1,4-bis(benzenesulfonyl)-N-butan-2-yl-2-piperazinecarboxamide::1,4-bis(benzenesulfonyl)-N-butan-2-ylpiperazine-2-carboxamide::1,4-dibesyl-N-sec-butyl-piperazine-2-carboxamide::MLS000108096::N-butan-2-yl-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide::SMR000104059::cid_2864284 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45436&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2864284 252626035 ZINC06552543 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83802 O=S(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 InChI=1S/C16H27NOS/c18-19(17-15-4-2-1-3-5-15)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15,17H,1-11H2 YCKHXUSTUFHYKI-UHFFFAOYSA-N 32802 MLS000106746::N-cyclohexyl-1-adamantanesulfinamide::N-cyclohexyladamantane-1-sulfinamide::SMR000111122::cid_2853023 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32802&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2853023 252615938 ZINC05005663 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83803 CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1 InChI=1S/C15H10O4S/c1-9(16)14-13(10-5-2-3-7-12(10)20-14)19-15(17)11-6-4-8-18-11/h2-8H,1H3 MYLXADGEQWLSJF-UHFFFAOYSA-N 32803 (2-acetyl-1-benzothiophen-3-yl) furan-2-carboxylate::(2-ethanoyl-1-benzothiophen-3-yl) furan-2-carboxylate::2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester::MLS000113457::SMR000109355::cid_804965::furan-2-carboxylic acid (2-acetylbenzothiophen-3-yl) ester Coagulation factor XII 8191.67 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32803&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 804965 252615939 ZINC00314077 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83804 COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C InChI=1S/C17H23ClN2O5S/c1-10-9-15(11(2)8-13(10)18)26(23,24)20-7-5-6-14(20)16(21)19-12(3)17(22)25-4/h8-9,12,14H,5-7H2,1-4H3,(H,19,21) RARDHEXCDGEDBD-UHFFFAOYSA-N 45437 2-[[1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl]amino]propionic acid methyl ester::2-[[[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester::MLS000113797::SMR000109689::cid_2930409::methyl 2-[[1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate::methyl 2-[[1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45437&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2930409 252626036 ZINC04891296 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83805 C(Nc1nc(cs1)-c1cccnc1)c1ccco1 InChI=1S/C13H11N3OS/c1-3-10(7-14-5-1)12-9-18-13(16-12)15-8-11-4-2-6-17-11/h1-7,9H,8H2,(H,15,16) WQJUONMNXJIMEB-UHFFFAOYSA-N 45438 2-furfuryl-[4-(3-pyridyl)thiazol-2-yl]amine::MLS000110718::N-(2-furanylmethyl)-4-(3-pyridinyl)-2-thiazolamine::N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine::SMR000106647::cid_883342 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45438&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 883342 252626037 ZINC00454742 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83806 Brc1ccc(o1)C(=O)NCc1ccncc1 InChI=1S/C11H9BrN2O2/c12-10-2-1-9(16-10)11(15)14-7-8-3-5-13-6-4-8/h1-6H,7H2,(H,14,15) JYLYOHZPIJWQHF-UHFFFAOYSA-N 45439 5-bromanyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide::5-bromo-N-(4-pyridylmethyl)-2-furamide::5-bromo-N-(pyridin-4-ylmethyl)-2-furancarboxamide::5-bromo-N-(pyridin-4-ylmethyl)furan-2-carboxamide::MLS000106693::SMR000111070::cid_871917 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 871917 252626038 ZINC00438532 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83807 CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(O)=O)C(=O)NC(CCCN=C(N)N)C=O InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18?,19-,20?,21-/m0/s1 SDNYTAYICBFYFH-MAHYXTOZSA-N 32804 2-[[(1S)-1-[[(1S)-1-[(1-formyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]carbamoyl]-4-guanidino-butyl]carbamoylamino]-3-phenyl-propionic acid::2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid::2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-phenyl-propanoic acid::2-[[[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid::ANTIPAIN::MLS000028862::SMR000059007::cid_6852398 Coagulation factor XII 5866.086667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32804&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6852398 252615940 ZINC08716758 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83808 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) XDRYMKDFEDOLFX-UHFFFAOYSA-N 45440 4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid::4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid::4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid::CHEMBL494163::MLS000028738::PENTAMIDINE::PENTAMIDINE ISETHIONATE::SMR000059147::cid_359323 Coagulation factor XII 13699.31667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45440&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search PNT 3GY3,3HII,1RKW,3CR4,3CR5,3EY0,1D64,7WP3 4735 252626039 CHEMBL494163 DB00738 C07420 ZINC01530775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83809 Cc1onc(c1C(=O)n1cc(Br)cn1)-c1ccccc1 InChI=1S/C14H10BrN3O2/c1-9-12(14(19)18-8-11(15)7-16-18)13(17-20-9)10-5-3-2-4-6-10/h2-8H,1H3 KAQYAAQPJAQBKJ-UHFFFAOYSA-N 45441 (4-bromanylpyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone::(4-bromo-1-pyrazolyl)-(5-methyl-3-phenyl-4-isoxazolyl)methanone::(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone::(4-bromopyrazol-1-yl)-(5-methyl-3-phenyl-isoxazol-4-yl)methanone::4-[(4-bromo-1H-pyrazol-1-yl)carbonyl]-5-methyl-3-phenylisoxazole::MLS000548214::SMR000114904::cid_753182 Coagulation factor XII 8617.576667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753182 252626040 ZINC00205155 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83810 Fc1ccc(OCc2ccc(o2)C(=O)n2cc(Br)cn2)cc1 InChI=1S/C15H10BrFN2O3/c16-10-7-18-19(8-10)15(20)14-6-5-13(22-14)9-21-12-3-1-11(17)2-4-12/h1-8H,9H2 LMDCNZJFAGLUFN-UHFFFAOYSA-N 45442 (4-bromanylpyrazol-1-yl)-[5-[(4-fluoranylphenoxy)methyl]furan-2-yl]methanone::(4-bromo-1-pyrazolyl)-[5-[(4-fluorophenoxy)methyl]-2-furanyl]methanone::(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]-2-furyl]methanone::(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone::4-bromo-1-{5-[(4-fluorophenoxy)methyl]-2-furoyl}-1H-pyrazole::MLS000550064::SMR000114785::cid_1222676 Coagulation factor XII 16251.33 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45442&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1222676 252626041 ZINC00998392 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83811 Clc1cncc(OC(=O)c2ccco2)c1 InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H DWJOEJDGHVXXEB-UHFFFAOYSA-N 32805 (5-chloranylpyridin-3-yl) furan-2-carboxylate::(5-chloropyridin-3-yl) furan-2-carboxylate::2-furancarboxylic acid (5-chloro-3-pyridinyl) ester::5-chloro-3-pyridinyl 2-furoate::CHEMBL222840::MLS000594516::SMR000114552::acs.jmedchem.1c00409_ST.45::cid_7230550::furan-2-carboxylic acid (5-chloro-3-pyridyl) ester::med.21724, Compound 93 Coagulation factor XII 1391.38 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32805&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7230550 252615941 CHEMBL222840 ZINC04419293 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83812 COc1ccc(cc1OC)C(=O)n1nnc2ccccc12 InChI=1S/C15H13N3O3/c1-20-13-8-7-10(9-14(13)21-2)15(19)18-12-6-4-3-5-11(12)16-17-18/h3-9H,1-2H3 GCEWJBIDLIIRAB-UHFFFAOYSA-N 32806 1-benzotriazolyl-(3,4-dimethoxyphenyl)methanone::MLS000392028::SMR000102548::benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone::cid_743706 Coagulation factor XII 755.196667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32806&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 743706 252615942 ZINC00183708 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83813 COc1ccc(cc1OC)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C19H21ClN2O5S/c1-26-17-8-3-14(13-18(17)27-2)19(23)21-9-11-22(12-10-21)28(24,25)16-6-4-15(20)5-7-16/h3-8,13H,9-12H2,1-2H3 YXAZCJDDQGNVBG-UHFFFAOYSA-N 45443 MLS000523325::SMR000123303::[4-(4-Chloro-benzenesulfonyl)-piperazin-1-yl]-(3,4-dimethoxy-phenyl)-methanone::[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone::[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone::[4-(4-chlorophenyl)sulfonylpiperazino]-(3,4-dimethoxyphenyl)methanone::cid_1147919 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45443&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1147919 252626042 ZINC00893037 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83814 CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O InChI=1S/C17H25N3O6S/c1-4-26-17(22)19-10-8-18(9-11-19)16(21)13-20(27(3,23)24)14-6-5-7-15(12-14)25-2/h5-7,12H,4,8-11,13H2,1-3H3 AQRJUILVJZPUEI-UHFFFAOYSA-N 32809 4-[2-(3-methoxy-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester::4-[2-(N-mesyl-3-methoxy-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester::4-{2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-acetyl}-piperazine-1-carboxylic acid ethyl ester::MLS000122905::SMR000123559::cid_978417::ethyl 4-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate::ethyl 4-[2-[(3-methoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32809&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 978417 252615945 ZINC00622171 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83815 Cc1ccc(OCc2nnc(SCC(O)=O)n2N)cc1 InChI=1S/C12H14N4O3S/c1-8-2-4-9(5-3-8)19-6-10-14-15-12(16(10)13)20-7-11(17)18/h2-5H,6-7,13H2,1H3,(H,17,18) DWWJNZHWAJPIPQ-UHFFFAOYSA-N 45444 (4-Amino-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid::2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid::2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid::2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid::MLS000123996::SMR000124478::cid_977259 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45444&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 977259 252626043 ZINC00619849 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83816 Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCCCC1 InChI=1S/C15H22FN3O2S/c16-14-6-2-3-7-15(14)17-10-12-19(13-11-17)22(20,21)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-13H2 FIIYLFHECMDSOM-UHFFFAOYSA-N 45445 1-(2-Fluoro-phenyl)-4-(piperidine-1-sulfonyl)-piperazine::1-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)piperazine::1-(2-fluorophenyl)-4-piperidin-1-ylsulfonyl-piperazine::1-(2-fluorophenyl)-4-piperidin-1-ylsulfonylpiperazine::1-(2-fluorophenyl)-4-piperidinosulfonyl-piperazine::MLS000067211::SMR000124636::cid_1094970 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45445&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1094970 252626044 ZINC00816519 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83817 O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1 InChI=1S/C25H23N3O4/c29-24(19-6-11-22-23(16-19)32-17-31-22)26-20-7-9-21(10-8-20)27-12-14-28(15-13-27)25(30)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,26,29) WGUAEYUFQLMYKF-UHFFFAOYSA-N 45446 Benzo[1,3]dioxole-5-carboxylic acid [4-(4-benzoyl-piperazin-1-yl)-phenyl]-amide::MLS000523742::N-[4-(4-benzoyl-1-piperazinyl)phenyl]-1,3-benzodioxole-5-carboxamide::N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide::N-[4-(4-benzoylpiperazino)phenyl]-piperonylamide::N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide::SMR000122815::cid_1055931 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45446&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1055931 252626045 ZINC00738400 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83818 Cc1cc(-n2ccnc2)n2c(nc3ccccc23)c1C#N InChI=1S/C16H11N5/c1-11-8-15(20-7-6-18-10-20)21-14-5-3-2-4-13(14)19-16(21)12(11)9-17/h2-8,10H,1H3 GUEJHFQPWUESTQ-UHFFFAOYSA-N 45447 1-(1-imidazolyl)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile::1-Imidazol-1-yl-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile::1-imidazol-1-yl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile::1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile::MLS000525979::SMR000116453::cid_726769 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45447&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 726769 252626046 ZINC00135245 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83819 COc1cc(OC)cc(c1)C(=O)n1nc(C)cc1C InChI=1S/C14H16N2O3/c1-9-5-10(2)16(15-9)14(17)11-6-12(18-3)8-13(7-11)19-4/h5-8H,1-4H3 WZKXIRZYCVLIHB-UHFFFAOYSA-N 33445 (3,5-Dimethoxy-phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methanone::(3,5-dimethoxyphenyl)-(3,5-dimethyl-1-pyrazolyl)methanone::(3,5-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone::MLS000526208::SMR000116682::cid_754128 Coagulation factor XII 7888.5 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33445&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 754128 252616353 ZINC00207426 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83820 CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1 InChI=1S/C13H11NO4/c1-9(15)14-10-4-6-11(7-5-10)18-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,15) SBMBBHZGRABPOQ-UHFFFAOYSA-N 45448 (4-acetamidophenyl) furan-2-carboxylate::2-furancarboxylic acid (4-acetamidophenyl) ester::Furan-2-carboxylic acid 4-acetylamino-phenyl ester::MLS000526209::SMR000116683::cid_812967::furan-2-carboxylic acid (4-acetamidophenyl) ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45448&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 812967 252626047 ZINC00325109 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83821 COC(=O)C(C=Nc1ccccc1)[N+]([O-])=O InChI=1S/C10H10N2O4/c1-16-10(13)9(12(14)15)7-11-8-5-3-2-4-6-8/h2-7,9H,1H3 QAFCJZMHKDYDFV-UHFFFAOYSA-N 45449 (Z)-3-anilino-2-nitro-2-propenoic acid methyl ester::(Z)-3-anilino-2-nitro-acrylic acid methyl ester::2-Nitro-3-phenylamino-acrylic acid methyl ester::MLS000526462::SMR000116936::cid_2207896::methyl (Z)-2-nitro-3-phenylazanyl-prop-2-enoate::methyl (Z)-3-anilino-2-nitroprop-2-enoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896660 252626048 ZINC13574496 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83822 O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1 InChI=1S/C17H12O5/c18-16-13-4-1-3-11(13)12-7-6-10(9-15(12)22-16)21-17(19)14-5-2-8-20-14/h2,5-9H,1,3-4H2 XPHAPQDWSYYERN-UHFFFAOYSA-N 33447 (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::2-furancarboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester::Furan-2-carboxylic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester::MLS000526449::SMR000116923::cid_718321::furan-2-carboxylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Coagulation factor XII 6221.753333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33447&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 718321 252616355 ZINC00117671 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83823 CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 InChI=1S/C14H14BrNO2/c1-9(2)10-3-5-11(6-4-10)16-14(17)12-7-8-13(15)18-12/h3-9H,1-2H3,(H,16,17) AUKGEVZMXPNOHI-UHFFFAOYSA-N 45450 5-Bromo-furan-2-carboxylic acid (4-isopropyl-phenyl)-amide::5-bromanyl-N-(4-propan-2-ylphenyl)furan-2-carboxamide::5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide::5-bromo-N-(4-propan-2-ylphenyl)furan-2-carboxamide::5-bromo-N-p-cumenyl-2-furamide::MLS000527535::SMR000118009::cid_803330 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45450&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 803330 252626049 ZINC00311476 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83824 CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3 WHPLFFUAOTXPOV-UHFFFAOYSA-N 32697 (3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527913::SMR000120487::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_1088427 Coagulation factor XII 2069.096667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1088427 252615834 ZINC00807054 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83825 Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16) IGCDDPNPYAFVCA-UHFFFAOYSA-N 33448 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527906::SMR000120480::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-phenyl-methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenyl-methanone::cid_828588 Coagulation factor XII 643.476667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33448&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828588 252616356 ZINC00350102 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83826 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O2/c1-9-4-6-10(7-5-9)13(19)18-14(15)16-12(17-18)11-3-2-8-20-11/h2-8H,1H3,(H2,15,16,17) PGDFFQTZZYUSBF-UHFFFAOYSA-N 33449 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-p-tolyl-methanone::MLS000527907::SMR000120481::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_828590 Coagulation factor XII 2086.316667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828590 252616357 ZINC00350104 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83827 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C13H9ClN4O2/c14-9-5-3-8(4-6-9)12(19)18-13(15)16-11(17-18)10-2-1-7-20-10/h1-7H,(H2,15,16,17) PMYRDJAEGIUHCC-UHFFFAOYSA-N 33450 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-chloro-phenyl)-methanone::MLS000527908::SMR000120482::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_828591 Coagulation factor XII 8587.873333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33450&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 828591 252616358 ZINC00350105 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83828 COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC InChI=1S/C14H21NO4/c1-8-13(10(3)16)14(11(4)17)9(2)15(8)7-12(18-5)19-6/h12H,7H2,1-6H3 VUYUSSQWIHTPOY-UHFFFAOYSA-N 45451 1-[1-(2,2-dimethoxyethyl)-4-ethanoyl-2,5-dimethyl-pyrrol-3-yl]ethanone::1-[4-Acetyl-1-(2,2-dimethoxy-ethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone::MLS000527941::SMR000120515::cid_713980 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45451&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 713980 252626050 ZINC00108430 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83829 Cc1cc(C(C#N)c2cccc(Cl)c2)n2ncnc2n1 InChI=1S/C14H10ClN5/c1-9-5-13(20-14(19-9)17-8-18-20)12(7-16)10-3-2-4-11(15)6-10/h2-6,8,12H,1H3 BHVNSHKJUIVDRQ-UHFFFAOYSA-N 45452 (3-Chloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-acetonitrile::2-(3-chlorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetonitrile::2-(3-chlorophenyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethanenitrile::MLS000527951::SMR000120525::cid_3231375 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45452&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3231375 252626051 ZINC01350884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83830 Clc1ccc(OC(=O)c2ccco2)c2ncccc12 InChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H ANWBJZCIAVOROI-UHFFFAOYSA-N 33451 (5-chloranylquinolin-8-yl) furan-2-carboxylate::(5-chloroquinolin-8-yl) furan-2-carboxylate::2-furancarboxylic acid (5-chloro-8-quinolinyl) ester::Furan-2-carboxylic acid 5-chloro-quinolin-8-yl ester::MLS000528333::SMR000120908::cid_699693::furan-2-carboxylic acid (5-chloro-8-quinolyl) ester Coagulation factor XII 21575.89 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33451&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 699693 252616359 ZINC00078754 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83831 COc1ccc(cc1)C(=O)n1cnnc1N InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13) GEWIUKZEFCKWDD-UHFFFAOYSA-N 33453 (3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::MLS000528783::SMR000121258::cid_2938648 Coagulation factor XII 7588.073333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33453&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2938648 252616361 ZINC04570721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83832 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17) VLVDOLXNKMIANU-UHFFFAOYSA-N 33454 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-methoxy-phenyl)-methanone::MLS000528979::SMR000121454::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::cid_1084416 Coagulation factor XII 2848.053333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33454&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1084416 252616362 ZINC00800884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83833 O=C(c1ccccc1)n1nnc2ccccc12 InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H UJEMOXPSTTXLRE-UHFFFAOYSA-N 32701 1-benzotriazolyl(phenyl)methanone::Benzotriazol-1-yl-phenyl-methanone::MLS000529214::SMR000121689::benzotriazol-1-yl(phenyl)methanone::cid_570059 Coagulation factor XII 2014.353333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32701&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 570059 252615838 ZINC00101721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83834 CCOC(=O)c1sc(nc1C)N(C)C(C)=O InChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3 QUYPYEYQAFHKSV-UHFFFAOYSA-N 45453 2-(Acetyl-methyl-amino)-4-methyl-thiazole-5-carboxylic acid ethyl ester::2-[acetyl(methyl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester::2-[acetyl(methyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester::MLS000529346::SMR000121821::cid_886209::ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate::ethyl 2-[ethanoyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45453&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 886209 252626052 ZINC00458805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83835 CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1 InChI=1S/C18H17N5O2S/c1-13(24)21-14-7-9-15(10-8-14)22-17(25)11-26-18-19-12-20-23(18)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,24)(H,22,25) RAESXHNRMHZWEB-UHFFFAOYSA-N 45454 MLS000529452::N-(4-Acetylamino-phenyl)-2-(2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)thio]acetamide::SMR000121927::cid_1096329 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45454&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1096329 252626053 ZINC00818910 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83836 COCCN(C(=O)C1CC1)c1nnc(s1)-c1ccc(C)cc1 InChI=1S/C16H19N3O2S/c1-11-3-5-12(6-4-11)14-17-18-16(22-14)19(9-10-21-2)15(20)13-7-8-13/h3-6,13H,7-10H2,1-2H3 JFENYYJBGQKROT-UHFFFAOYSA-N 45455 Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amide::MLS000529632::N-(2-methoxyethyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::N-(2-methoxyethyl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide::SMR000122107::cid_3212635 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45455&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3212635 252626054 ZINC04880550 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83837 Brc1ccc(o1)-c1nc2ccccc2c(=O)o1 InChI=1S/C12H6BrNO3/c13-10-6-5-9(16-10)11-14-8-4-2-1-3-7(8)12(15)17-11/h1-6H KLVPWMXJWCYAKX-UHFFFAOYSA-N 41004 2-(5-bromanylfuran-2-yl)-3,1-benzoxazin-4-one::2-(5-bromo-2-furanyl)-3,1-benzoxazin-4-one::2-(5-bromo-2-furyl)-3,1-benzoxazin-4-one::2-(5-bromo-2-furyl)-4H-3,1-benzoxazin-4-one::2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one::MLS000538537::SMR000144574::cid_1254875 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=41004&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1254875 252621781 ZINC01065669 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83838 CC(C)Cn1c(nc2ccccc2c1=O)-c1ccccc1 InChI=1S/C18H18N2O/c1-13(2)12-20-17(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18(20)21/h3-11,13H,12H2,1-2H3 LUMSDFSLXADJDC-UHFFFAOYSA-N 45456 3-(2-methylpropyl)-2-phenyl-4-quinazolinone::3-(2-methylpropyl)-2-phenyl-quinazolin-4-one::3-(2-methylpropyl)-2-phenylquinazolin-4-one::3-Isobutyl-2-phenyl-3H-quinazolin-4-one::3-isobutyl-2-phenyl-quinazolin-4-one::MLS000556232::SMR000147549::cid_950786 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45456&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 950786 252626055 ZINC00553422 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83839 CC1(C)C2(C)CCC1(OC2=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C23H25NO3/c1-21(2)22(3)14-15-23(21,27-20(22)26)19(25)24-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,24,25) WZPQMHUPXQPZOY-UHFFFAOYSA-N 45457 MLS000539247::N-(diphenylmethyl)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide::N-(diphenylmethyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide::N-(diphenylmethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide::N-benzhydryl-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide::N-benzhydryl-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide::SMR000144884::cid_2972701 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45457&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2972701 252626056 ZINC01058379 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83840 C[O+]=N[CH-]c1ccc(Sc2ccccc2N)c(c1)[N+]([O-])=O InChI=1S/C14H13N3O3S/c1-20-16-9-10-6-7-14(12(8-10)17(18)19)21-13-5-3-2-4-11(13)15/h2-9H,15H2,1H3 CONHBNHIYPPSDW-UHFFFAOYSA-N 45458 2-[4-(methoxyiminomethyl)-2-nitro-phenyl]sulfanylaniline::2-[4-(methoxyiminomethyl)-2-nitrophenyl]sulfanylaniline::2-[[4-(methoxyiminomethyl)-2-nitrophenyl]thio]aniline::4-[(2-aminophenyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-methyloxime::MLS000541532::SMR000126390::[2-[[4-(methyloximinomethyl)-2-nitro-phenyl]thio]phenyl]amine::cid_5192816 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45458&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9611467 252626057 ZINC08579121 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83841 Clc1ccccc1-c1nc2ccsc2c(=O)o1 InChI=1S/C12H6ClNO2S/c13-8-4-2-1-3-7(8)11-14-9-5-6-17-10(9)12(15)16-11/h1-6H RVSYWOORIBXTII-UHFFFAOYSA-N 32813 2-(2-chlorophenyl)-4-thieno[3,2-d][1,3]oxazinone::2-(2-chlorophenyl)-4H-thieno[3,2-d][1,3]oxazin-4-one::2-(2-chlorophenyl)thieno[3,2-d][1,3]oxazin-4-one::MLS000541266::SMR000126124::cid_1485389 Coagulation factor XII 241.373333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32813&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1485389 252615949 ZINC01399287 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83842 CC1=NC2=C(C(C1C(=O)OCC1CCCO1)c1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1 InChI=1S/C27H26F3NO5/c1-15-23(26(33)36-14-19-7-3-9-34-19)24(16-5-2-6-18(11-16)27(28,29)30)25-20(31-15)12-17(13-21(25)32)22-8-4-10-35-22/h2,4-6,8,10-11,17,19,23-24H,3,7,9,12-14H2,1H3 GBBKRROPOLNZNI-UHFFFAOYSA-N 45459 7-(2-furanyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester::7-(2-furyl)-5-keto-2-methyl-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester::MLS000594206::SMR000143225::cid_2949359::oxolan-2-ylmethyl 7-(furan-2-yl)-2-methyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::oxolan-2-ylmethyl 7-(furan-2-yl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::tetrahydro-2-furanylmethyl 7-(2-furyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45459&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 74471753 252626058 ZINC35913046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83843 CCOc1ccc(CNc2ncnc(N)n2)cc1 InChI=1S/C12H15N5O/c1-2-18-10-5-3-9(4-6-10)7-14-12-16-8-15-11(13)17-12/h3-6,8H,2,7H2,1H3,(H3,13,14,15,16,17) GPDOWTGVFPWUDF-UHFFFAOYSA-N 45460 (4-amino-s-triazin-2-yl)-(4-ethoxybenzyl)amine::2-N-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine::MLS000552212::N-(4-Ethoxy-benzyl)-[1,3,5]triazine-2,4-diamine::N2-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine::SMR000145926::cid_540728 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45460&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 540728 252626059 ZINC00494208 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83844 C[n+]1ccn(c1)C(=O)N(c1ccccc1)c1ccccc1 InChI=1S/C17H16N3O/c1-18-12-13-19(14-18)17(21)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3/q+1 UCZNOMDTMQAINN-UHFFFAOYSA-N 45461 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium::3-methyl-N,N-diphenyl-1-imidazol-3-iumcarboxamide;chloride::3-methyl-N,N-diphenyl-imidazol-3-ium-1-carboxamide;chloride::3-methyl-N,N-diphenylimidazol-3-ium-1-carboxamide;chloride::MLS000554423::SMR000146740::cid_9550043 Coagulation factor XII 4272.656667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45461&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 915591 252626060 ZINC96190206 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83845 Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12 InChI=1S/C20H15N3O/c1-13-7-2-3-9-15(13)23-20(24)14-8-6-12-18-19(14)22-17-11-5-4-10-16(17)21-18/h2-12H,1H3,(H,23,24) YTAITZRBXMKGJJ-UHFFFAOYSA-N 45462 MLS000555841::N-(2-methylphenyl)-1-phenazinecarboxamide::N-(2-methylphenyl)phenazine-1-carboxamide::N-(o-tolyl)phenazine-1-carboxamide::Phenazine-1-carboxylic acid o-tolylamide::SMR000147358::cid_4364019 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45462&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4364019 252626061 ZINC04981011 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83846 OC(=O)CC(=O)Nc1ccccc1C(O)=O InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16) ZDSSCYCDBASEJQ-UHFFFAOYSA-N 45463 2-[(2-carboxy-1-oxoethyl)amino]benzoic acid::2-[(2-carboxyacetyl)amino]benzenecarboxylic acid::2-[(2-carboxyacetyl)amino]benzoic acid::2-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid::MLS000594349::SMR000126529::cid_439922 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45463&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 439922 252626062 52430 C01656 ZINC00901658 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83847 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19) BIEYFOHSWAIQDF-UHFFFAOYSA-N 32709 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000537840::SMR000144080::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::cid_970375 Coagulation factor XII 795.836667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32709&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970375 252615846 ZINC00609776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83848 Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(O)=O InChI=1S/C13H10BrNO4/c1-7-8(13(17)18)3-2-4-9(7)15-12(16)10-5-6-11(14)19-10/h2-6H,1H3,(H,15,16)(H,17,18) DEQCEMWHNABHKA-UHFFFAOYSA-N 45464 3-[(5-bromanylfuran-2-yl)carbonylamino]-2-methyl-benzoic acid::3-[(5-bromo-2-furoyl)amino]-2-methyl-benzoic acid::3-[(5-bromo-2-furoyl)amino]-2-methylbenzoic acid::3-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid::3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acid::MLS000531748::SMR000136726::cid_973206 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45464&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 973206 252626063 ZINC00613729 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83849 CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1 InChI=1S/C27H26FN5O4/c1-2-31-17-20(26(35)30-16-18-5-3-7-29-15-18)25(34)19-13-21(28)23(14-22(19)31)32-8-10-33(11-9-32)27(36)24-6-4-12-37-24/h3-7,12-15,17H,2,8-11,16H2,1H3,(H,30,35) WSFVEAGQLNHYTR-UHFFFAOYSA-N 45465 1-Ethyl-6-fluoro-7-[4-(furan-2-carbonyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (pyridin-3-ylmethyl)-amide::1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-N-(3-pyridylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide::MLS000554764::SMR000146881::cid_1895569 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45465&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1895569 252626064 ZINC08686825 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83850 Cc1ccc(cc1)C(=O)n1cnnc1N InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13) QXYXZOXEPMANBZ-UHFFFAOYSA-N 32713 (3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::(3-amino-1,2,4-triazol-4-yl)-(p-tolyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000537289::SMR000143706::cid_892616 Coagulation factor XII 9179.693333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32713&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 892616 252615850 ZINC00468643 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83851 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)c(OC)cc1Cl InChI=1S/C19H16ClF3N4O3/c1-29-14-6-12(15(30-2)5-10(14)20)25-18(28)13-8-17-24-11(9-3-4-9)7-16(19(21,22)23)27(17)26-13/h5-9H,3-4H2,1-2H3,(H,25,28) SOINLPPCOULWLA-UHFFFAOYSA-N 45466 MLS000538871::N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide::N-(4-chloro-2,5-dimethoxy-phenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide::N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide::N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide::SMR000144708::cid_2981801 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2981801 252626065 ZINC08666937 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83852 CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1 InChI=1S/C19H20N4O3S2/c1-3-12(2)20-15(24)11-28-19-21-14-9-10-27-16(14)18(26)23(19)22-17(25)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,20,24)(H,22,25) PPYYOIXOWFPLCL-UHFFFAOYSA-N 45467 MLS000520890::N-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide::N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide::N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide::N-[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]thieno[3,2-d]pyrimidin-3-yl]benzamide::SMR000131299::cid_4170428 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45467&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4170428 252626066 ZINC02932238 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83853 Cc1ccc(NC(=O)CCn2cccc2)cc1C InChI=1S/C15H18N2O/c1-12-5-6-14(11-13(12)2)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18) LVVGKPGKLWGIFV-UHFFFAOYSA-N 45468 MLS000520573::N-(3,4-dimethylphenyl)-3-(1-pyrrolyl)propanamide::N-(3,4-dimethylphenyl)-3-pyrrol-1-yl-propanamide::N-(3,4-dimethylphenyl)-3-pyrrol-1-yl-propionamide::N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide::SMR000130984::cid_6941500 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45468&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6941500 252626067 ZINC08671874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83854 Cc1cc(Br)c2[nH]c3c(CCCC3=O)c2c1 InChI=1S/C13H12BrNO/c1-7-5-9-8-3-2-4-11(16)13(8)15-12(9)10(14)6-7/h5-6,15H,2-4H2,1H3 RSSWDLORGLOJNQ-UHFFFAOYSA-N 45469 8-bromanyl-6-methyl-2,3,4,9-tetrahydrocarbazol-1-one::8-bromo-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one::8-bromo-6-methyl-2,3,4,9-tetrahydrocarbazol-1-one::MLS000533711::SMR000141149::cid_878508 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45469&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 878508 252626068 ZINC00448065 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83855 CCOC(=O)CSc1snnc1-c1ccccc1 InChI=1S/C12H12N2O2S2/c1-2-16-10(15)8-17-12-11(13-14-18-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 MGTQBMIGNHMCIF-UHFFFAOYSA-N 45470 2-[(4-phenyl-5-thiadiazolyl)thio]acetic acid ethyl ester::2-[(4-phenylthiadiazol-5-yl)thio]acetic acid ethyl ester::MLS000539847::SMR000125305::cid_1473962::ethyl 2-(4-phenylthiadiazol-5-yl)sulfanylacetate::ethyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]acetate::ethyl 2-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]ethanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45470&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1473962 252626069 ZINC01385698 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83856 COc1cc(C=C(C(C)=O)C(C)=O)ccc1O InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3 XMAWAPAJKQHUHU-UHFFFAOYSA-N 45471 3-[(3-methoxy-4-oxidanyl-phenyl)methylidene]pentane-2,4-dione::3-[(4-hydroxy-3-methoxyphenyl)methylene]-2,4-pentanedione::3-[(4-hydroxy-3-methoxyphenyl)methylidene]pentane-2,4-dione::3-vanillylidenepentane-2,4-dione::MLS000544860::SMR000126617::cid_294770 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45471&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 294770 252626070 ZINC01387051 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83857 CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1 InChI=1S/C22H29N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-9,12-15,17H,3-6,10-11,16H2,1-2H3,(H,24,27) GGASVRVMOZGIMT-UHFFFAOYSA-N 45472 MLS000519739::N-[1-(cyclohexylamino)-2-methyl-1-oxidanylidene-butan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide::N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamide::N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide::N-[1-(cyclohexylcarbamoyl)-1-methyl-propyl]-N-(2-furfuryl)picolinamide::SMR000130157::cid_3964693 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45472&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3964693 252626071 ZINC04571274 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83858 Cc1ccc(NC(=O)NCc2ccc3OCOc3c2)cc1 InChI=1S/C16H16N2O3/c1-11-2-5-13(6-3-11)18-16(19)17-9-12-4-7-14-15(8-12)21-10-20-14/h2-8H,9-10H2,1H3,(H2,17,18,19) BLCGUPSWXUSDOY-UHFFFAOYSA-N 45473 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)urea::1-piperonyl-3-(p-tolyl)urea::MLS000538951::N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methylphenyl)urea::SMR000144866::cid_2243429 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45473&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2243429 252626072 ZINC02891040 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83859 COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C23H17N5O2/c1-30-18-13-11-16(12-14-18)22-19(15-27(25-22)17-7-3-2-4-8-17)23(29)28-21-10-6-5-9-20(21)24-26-28/h2-15H,1H3 YKAFBQRMJLHRNK-UHFFFAOYSA-N 32815 1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone::1-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000534987::SMR000142423::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone::cid_1326637 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32815&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1326637 252615951 ZINC01157362 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83860 CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26) BJWONPQIIOGGNY-UHFFFAOYSA-N 45474 1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amino]thiourea::1-[(4-nitrophenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea::4-nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone::MLS000532310::SMR000137249::cid_1040260 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45474&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6877350 252626073 ZINC33336018 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83861 Cc1cccc(NC(=O)c2cc(ccc2Cl)-n2c(O)ccc2O)n1 InChI=1S/C17H14ClN3O3/c1-10-3-2-4-14(19-10)20-17(24)12-9-11(5-6-13(12)18)21-15(22)7-8-16(21)23/h2-9,22-23H,1H3,(H,19,20,24) MGEJKEBFRDPUPV-UHFFFAOYSA-N 32816 2-chloro-5-(2,5-dioxo-1-pyrrolidinyl)-N-(6-methyl-2-pyridinyl)benzamide::2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methylpyridin-2-yl)benzamide::2-chloro-N-(6-methyl-2-pyridyl)-5-succinimido-benzamide::5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-chloranyl-N-(6-methylpyridin-2-yl)benzamide::MLS000538933::SMR000144770::cid_1259038 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32816&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896160 252615952 ZINC01070614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83862 COc1ccc(cc1)N1C(=O)C(Cl)=C(N2CCCC(C)C2)C1=O InChI=1S/C17H19ClN2O3/c1-11-4-3-9-19(10-11)15-14(18)16(21)20(17(15)22)12-5-7-13(23-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3 PXGIAWSSFXNWBW-UHFFFAOYSA-N 32817 3-chloranyl-1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)-1H-pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methylpiperidino)-3-pyrroline-2,5-quinone::MLS000534988::SMR000142424::cid_2791456 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32817&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2791456 252615953 ZINC00090631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83863 CCC(CC)c1nnc(NC(=O)Oc2ccccc2)s1 InChI=1S/C14H17N3O2S/c1-3-10(4-2)12-16-17-13(20-12)15-14(18)19-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,15,17,18) UKNWKIBYNQFWHF-UHFFFAOYSA-N 45475 MLS000538887::N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamic acid phenyl ester::N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamic acid phenyl ester::SMR000144724::cid_735090::phenyl N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamate::phenyl [5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45475&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 735090 252626074 ZINC00151160 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83864 COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C InChI=1S/C17H19NO6S/c1-11-13(17(19)24-4)6-5-7-14(11)18-25(20,21)12-8-9-15(22-2)16(10-12)23-3/h5-10,18H,1-4H3 WPMSXDXXOPNQNP-UHFFFAOYSA-N 45476 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methyl-benzoic acid methyl ester::3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoic acid methyl ester::MLS000531717::SMR000136695::cid_1006841::methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methyl-benzoate::methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate::methyl 3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-2-methylbenzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45476&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1006841 252626075 ZINC00665813 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83865 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1 InChI=1S/C17H16N4O2/c1-23-14-9-7-13(8-10-14)16-19-17(18)21(20-16)15(22)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20) MDIYVBOFPAESAX-UHFFFAOYSA-N 33465 1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenylethanone::1-[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone::3-(4-methoxyphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine::MLS000534947::SMR000142383::cid_753277 Coagulation factor XII 2049.753333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33465&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753277 252616372 ZINC00205343 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83866 COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)c(C)c3oc(=O)c2c1 InChI=1S/C26H23NO5/c1-16-23(31-15-24(28)27-12-11-17-5-3-4-6-18(17)14-27)10-9-21-20-8-7-19(30-2)13-22(20)26(29)32-25(16)21/h3-10,13H,11-12,14-15H2,1-2H3 GSNSZQXXSDUZND-UHFFFAOYSA-N 45477 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-8-methoxy-4-methyl-benzo[c]chromen-6-one::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-8-methoxy-4-methyl-benzo[c]chromen-6-one::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-8-methoxy-4-methyl-6-benzo[c][1]benzopyranone::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-8-methoxy-4-methylbenzo[c]chromen-6-one::3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethoxy]-8-methoxy-4-methyl-6H-benzo[c]chromen-6-one::MLS000535224::SMR000142660::cid_2188922 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45477&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2188922 252626076 ZINC02830689 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83867 Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1 InChI=1S/C17H16N4OS/c1-21-16(13-8-5-9-14(18)10-13)19-20-17(21)23-11-15(22)12-6-3-2-4-7-12/h2-10H,11,18H2,1H3 YCMVEOBGMBPGAS-UHFFFAOYSA-N 50309586 2-(5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)-1-phenylethanone::CHEMBL599359::cid_881297 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309586&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 881297 104163947 CHEMBL599359 ZINC00452043 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83868 CCCC(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C11H13N5O/c1-2-4-9(17)16-11(12)14-10(15-16)8-5-3-6-13-7-8/h3,5-7H,2,4H2,1H3,(H2,12,14,15) AKHBGHIMIKHILP-UHFFFAOYSA-N 33466 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)butan-1-one::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one::1-butyryl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000537418::SMR000143856::cid_970872 Coagulation factor XII 17115.051 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970872 252616373 ZINC00610463 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83869 CCCCCOC(=O)Nc1nnc(CCCCC)s1 InChI=1S/C13H23N3O2S/c1-3-5-7-9-11-15-16-12(19-11)14-13(17)18-10-8-6-4-2/h3-10H2,1-2H3,(H,14,16,17) MRNPJDJHYLFSFP-UHFFFAOYSA-N 45478 MLS000532046::N-(5-amyl-1,3,4-thiadiazol-2-yl)carbamic acid amyl ester::N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamic acid pentyl ester::SMR000136988::cid_2207802::pentyl (5-pentyl-1,3,4-thiadiazol-2-yl)carbamate::pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45478&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2207802 252626077 ZINC02854195 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83870 CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3 KDBJYASZCNEBLA-UHFFFAOYSA-N 32820 1-benzotriazolyl-[4-(dimethylamino)phenyl]methanone::MLS000519114::SMR000129533::benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone::cid_694547 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32820&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 694547 252615956 ZINC00067852 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83871 CC(C)N=CC1C(=O)Nc2ccccc12 InChI=1S/C12H14N2O/c1-8(2)13-7-10-9-5-3-4-6-11(9)14-12(10)15/h3-8,10H,1-2H3,(H,14,15) WCBXNUGLFKMCBA-UHFFFAOYSA-N 45479 (3Z)-3-[(isopropylamino)methylene]oxindole::(3Z)-3-[(propan-2-ylamino)methylidene]-1H-indol-2-one::MLS000521471::SMR000131879::cid_9550940 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45479&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896661 252626078 ZINC05976858 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83872 COc1ccc2-c3nc(NC(=O)c4ccc(C)cc4)sc3CCc2c1 InChI=1S/C20H18N2O2S/c1-12-3-5-13(6-4-12)19(23)22-20-21-18-16-9-8-15(24-2)11-14(16)7-10-17(18)25-20/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,22,23) BVKHVUZELWXEFK-UHFFFAOYSA-N 32821 MLS000519439::N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methyl-benzamide::N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methylbenzamide::SMR000129858::cid_3553484 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32821&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3553484 252615957 ZINC03651685 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83873 CC1CCCN(C1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12 InChI=1S/C18H24N4O3S2/c1-13-5-3-9-21(11-13)18(23)14-6-4-10-22(12-14)27(24,25)16-8-2-7-15-17(16)20-26-19-15/h2,7-8,13-14H,3-6,9-12H2,1H3 KLURMKGZDDMAEC-UHFFFAOYSA-N 45480 (3-methylpiperidino)-(1-piazthiol-4-ylsulfonyl-3-piperidyl)methanone::MLS000521824::SMR000132232::[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(3-methyl-1-piperidinyl)methanone::[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone::cid_9551219 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45480&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551219 252626079 ZINC05005521 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83874 CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(11-3-2-8-20-11)17-18(14)13(19)9-4-6-10(15)7-5-9/h2-8H,1H3 JBCIQOTXWVGRSP-UHFFFAOYSA-N 32722 (4-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone::MLS000522280::SMR000127548::cid_3586641 Coagulation factor XII 3957.196667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3586641 252615859 ZINC03647280 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83875 CCCOc1ccc(cc1)C(=O)NC(C)C(O)=O InChI=1S/C13H17NO4/c1-3-8-18-11-6-4-10(5-7-11)12(15)14-9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17) ZKPPSFKYENSMLE-UHFFFAOYSA-N 45481 2-[(4-propoxybenzoyl)amino]propanoic acid::2-[(4-propoxybenzoyl)amino]propionic acid::2-[(4-propoxyphenyl)carbonylamino]propanoic acid::2-[[oxo-(4-propoxyphenyl)methyl]amino]propanoic acid::MLS000521419::SMR000131827::cid_5057326 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5057326 252626080 ZINC04171500 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83876 COc1ccc(\C=C2\SC(=S)N(C2=O)n2c(C)ccc2C)cc1 InChI=1S/C17H16N2O2S2/c1-11-4-5-12(2)18(11)19-16(20)15(23-17(19)22)10-13-6-8-14(21-3)9-7-13/h4-10H,1-3H3/b15-10+ PZOXRWHIFUFFGV-XNTDXEJSSA-N 45482 (5E)-3-(2,5-dimethyl-1-pyrrolyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone::(5E)-3-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one::(5E)-3-(2,5-dimethylpyrrol-1-yl)-5-p-anisylidene-2-thioxo-thiazolidin-4-one::3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one::MLS000535279::SMR000142716::cid_2190841 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45482&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2190841 252626081 ZINC12731531 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83877 COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1 InChI=1S/C23H17N5O2/c1-30-18-11-7-8-16(14-18)22-19(15-27(25-22)17-9-3-2-4-10-17)23(29)28-21-13-6-5-12-20(21)24-26-28/h2-15H,1H3 JLDPLLXBILOCTH-UHFFFAOYSA-N 32728 1-benzotriazolyl-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone::1-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000536916::SMR000143553::benzotriazol-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone::benzotriazol-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone::cid_2140154 Coagulation factor XII 3926.52 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2140154 252615865 ZINC02697226 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83878 Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C InChI=1S/C20H18N4O2S2/c1-13-18(19(26)24(23(13)2)14-8-4-3-5-9-14)22-17(25)12-27-20-21-15-10-6-7-11-16(15)28-20/h3-11H,12H2,1-2H3,(H,22,25) FRYVANOCHOXQSZ-UHFFFAOYSA-N 45483 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide::2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide::2-(1,3-benzothiazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide::2-(1,3-benzothiazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide::2-(1,3-benzothiazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide::MLS000533702::SMR000141120::cid_2264841 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45483&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2264841 252626082 ZINC02939478 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83879 CCc1c(C)nc(N)nc1N1N=C1SCC#N InChI=1S/C10H12N6S/c1-3-7-6(2)13-9(12)14-8(7)16-10(15-16)17-5-4-11/h3,5H2,1-2H3,(H2,12,13,14) DLOHALUYYBFMDI-UHFFFAOYSA-N 45484 2-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetonitrile::2-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetonitrile::2-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetonitrile::2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanenitrile::MLS000538331::SMR000144368::cid_2224612::{[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-1H-diaziren-3-yl]thio}acetonitrile Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45484&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2224612 252626083 ZINC02871962 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83880 COc1cc(ccc1O)C(=O)n1nc(C)cc1C InChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)13(17)10-4-5-11(16)12(7-10)18-3/h4-7,16H,1-3H3 YRCJQSOMTKRNQO-UHFFFAOYSA-N 33472 (3,5-dimethyl-1-pyrazolyl)-(4-hydroxy-3-methoxyphenyl)methanone::(3,5-dimethyl-1H-pyrazol-1-yl)(4-hydroxy-3-methoxyphenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(3-methoxy-4-oxidanyl-phenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxy-phenyl)methanone::(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone::MLS000544956::SMR000126713::cid_1485768 Coagulation factor XII 11793.11 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33472&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1485768 252616379 ZINC01399761 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83881 Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1 InChI=1S/C20H21ClN6/c1-13-16(21)7-4-8-17(13)23-20-25-18(24-19(22)26-20)12-27-10-9-14-5-2-3-6-15(14)11-27/h2-8H,9-12H2,1H3,(H3,22,23,24,25,26) XVHXOCAAWQSDMK-UHFFFAOYSA-N 45485 2-N-(3-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,5-triazine-2,4-diamine::MLS000534801::N-(3-chloro-2-methylphenyl)-6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1,3,5-triazine-2,4-diamine::N2-(3-chloranyl-2-methyl-phenyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,5-triazine-2,4-diamine::N2-(3-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,5-triazine-2,4-diamine::SMR000142257::[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-s-triazin-2-yl]-(3-chloro-2-methyl-phenyl)amine::cid_1286476 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45485&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1286476 252626084 ZINC01830905 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83882 Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1 InChI=1S/C20H19N3O4/c1-11-5-12(2)19(24)14(6-11)15-8-16(23-22-15)20(25)21-9-13-3-4-17-18(7-13)27-10-26-17/h3-8,24H,9-10H2,1-2H3,(H,21,25)(H,22,23) IECRTUQVPQROOR-UHFFFAOYSA-N 45486 (5E)-5-(6-keto-3,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)-N-piperonyl-3-pyrazoline-3-carboxamide::(5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide::(5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide::(5E)-N-(1,3-benzodioxol-5-ylmethyl)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide::5-(2-Hydroxy-3,5-dimethyl-phenyl)-2H-pyrazole-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide::MLS000552088::SMR000145812::cid_6097686 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45486&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6097686 252626085 ZINC13121841 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83883 COC(=O)Cc1c(C)nc2nc([nH]n2c1=O)-c1ccc(C)cc1 InChI=1S/C16H16N4O3/c1-9-4-6-11(7-5-9)14-18-16-17-10(2)12(8-13(21)23-3)15(22)20(16)19-14/h4-7H,8H2,1-3H3,(H,17,18,19) XQOXJWFSAWMBHM-UHFFFAOYSA-N 45487 (5-Methyl-7-oxo-2-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-acetic acid methyl ester::2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester::2-[7-keto-5-methyl-2-(p-tolyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester::MLS000552048::SMR000145773::cid_1872769::methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanoate::methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45487&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1872769 252626086 ZINC08670572 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83884 Fc1ccc(cc1)C(=O)Nc1ncnc2sc3CCCCCc3c12 InChI=1S/C18H16FN3OS/c19-12-8-6-11(7-9-12)17(23)22-16-15-13-4-2-1-3-5-14(13)24-18(15)21-10-20-16/h6-10H,1-5H2,(H,20,21,22,23) CBZBMUDELIVGRR-UHFFFAOYSA-N 45488 4-Fluoro-N-(6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-yl)-benzamide::4-fluoranyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[1,2-c]pyrimidin-4-yl)benzamide::4-fluoro-N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[1,2-c]pyrimidin-4-yl)benzamide::MLS000557408::SMR000148325::cid_947221 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45488&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 947221 252626087 ZINC00546124 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83885 COc1ccc(cc1)N1C(=O)[C@@H]2[C@@H]([C@@H]3N(C=Cc4ccccc34)[C@@H]2C(=O)Nc2ccccc2)C1=O InChI=1S/C28H23N3O4/c1-35-20-13-11-19(12-14-20)31-27(33)22-23(28(31)34)25(26(32)29-18-8-3-2-4-9-18)30-16-15-17-7-5-6-10-21(17)24(22)30/h2-16,22-25H,1H3,(H,29,32)/t22-,23+,24+,25-/m0/s1 BBCDVTQRQLUUFI-LIONHTAISA-N 45489 (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide::MLS000557352::SMR000148269::cid_6357416 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45489&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6357416 242053064 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83886 O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)n1nnc2ccccc12 InChI=1S/C22H15N5O/c28-22(27-20-14-8-7-13-19(20)23-25-27)18-15-26(17-11-5-2-6-12-17)24-21(18)16-9-3-1-4-10-16/h1-15H CYQKPQNCLCVFKT-UHFFFAOYSA-N 32823 1-benzotriazolyl-(1,3-diphenyl-4-pyrazolyl)methanone::Benzotriazol-1-yl-(1,3-diphenyl-1H-pyrazol-4-yl)-methanone::MLS000556310::SMR000147627::benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone::cid_1409855 Coagulation factor XII 4425.476667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32823&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1409855 252615959 ZINC01288046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83887 CCCCc1[nH]c(=O)c(C#N)c2CCCCc12 InChI=1S/C14H18N2O/c1-2-3-8-13-11-7-5-4-6-10(11)12(9-15)14(17)16-13/h2-8H2,1H3,(H,16,17) JXWHYNVISYCBCO-UHFFFAOYSA-N 45490 1-Butyl-3-hydroxy-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile::1-butyl-3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::1-butyl-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::1-butyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::MLS000550868::SMR000144996::cid_3773502 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45490&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3773502 252626088 ZINC08672075 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83888 COc1cc(OC)cc(c1)C(=O)n1cnnc1N InChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14) ITJOJULATKBZRP-UHFFFAOYSA-N 32824 (3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::MLS000557385::SMR000148302::cid_936917 Coagulation factor XII 375.646667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32824&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 936917 252615960 ZINC00531125 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83889 CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O InChI=1S/C13H19N3O3S/c1-2-16-11(18)8-10(17)14-13(16)20-9-12(19)15-6-4-3-5-7-15/h8,17H,2-7,9H2,1H3 HVBJWJMYRKDHIF-UHFFFAOYSA-N 45491 1-ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one::1-ethyl-6-hydroxy-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-one::1-ethyl-6-hydroxy-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinone::1-ethyl-6-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one::3-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-3H-pyrimidin-4-one::MLS000555888::SMR000147405::cid_921619 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45491&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 921619 252626089 ZINC08829276 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83890 CC(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccccc1 InChI=1S/C18H14N2O3/c1-13(21)22-18-16(12-19-15-10-6-3-7-11-15)20-17(23-18)14-8-4-2-5-9-14/h2-12H,1H3/b19-12+ VXKKMMKQCRPJRL-XDHOZWIPSA-N 33475 Acetic acid 2-phenyl-4-[(E)-phenyliminomethyl]-oxazol-5-yl ester::MLS000552772::SMR000146287::[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] acetate::[2-phenyl-4-(phenyliminomethyl)-1,3-oxazol-5-yl] ethanoate::acetic acid [2-phenyl-4-(phenyliminomethyl)-5-oxazolyl] ester::acetic acid [2-phenyl-4-(phenyliminomethyl)oxazol-5-yl] ester::cid_915860 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33475&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 915860 252616382 ZINC13110437 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83891 Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccc(Cl)cc1)-c1ccco1 InChI=1S/C22H15ClN2O4/c1-14-4-6-15(7-5-14)21(26)29-22-18(13-24-17-10-8-16(23)9-11-17)25-20(28-22)19-3-2-12-27-19/h2-13H,1H3/b24-13+ XBMPBTVFQASWDA-ZMOGYAJESA-N 33476 4-Methyl-benzoic acid 4-{[(E)-4-chloro-phenylimino]-methyl}-2-furan-2-yl-oxazol-5-yl ester::4-methylbenzoic acid [4-[(4-chlorophenyl)iminomethyl]-2-(2-furanyl)-5-oxazolyl] ester::4-methylbenzoic acid [4-[(4-chlorophenyl)iminomethyl]-2-(2-furyl)oxazol-5-yl] ester::MLS000552774::SMR000146289::[4-[(4-chlorophenyl)iminomethyl]-2-(furan-2-yl)-1,3-oxazol-5-yl] 4-methylbenzoate::cid_1905664 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33476&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1905664 252616383 ZINC15979717 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83892 COc1ccc(OC)c(NC(=O)CC2N(CCNC2=O)C(=O)Nc2cccc(Cl)c2)c1 InChI=1S/C21H23ClN4O5/c1-30-15-6-7-18(31-2)16(11-15)25-19(27)12-17-20(28)23-8-9-26(17)21(29)24-14-5-3-4-13(22)10-14/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,23,28)(H,24,29)(H,25,27) IJTPCSBOHGJHDM-UHFFFAOYSA-N 45492 2-[(2,5-Dimethoxy-phenylcarbamoyl)-methyl]-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide::MLS000559445::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-3-keto-piperazine-1-carboxamide::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxo-1-piperazinecarboxamide::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide::N-(3-chlorophenyl)-2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carboxamide::SMR000149561::cid_4898031 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45492&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4898031 252626090 ZINC09237415 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83893 O=C1OC(Nc2ncccn2)c2ccccc12 InChI=1S/C12H9N3O2/c16-11-9-5-2-1-4-8(9)10(17-11)15-12-13-6-3-7-14-12/h1-7,10H,(H,13,14,15) DBPOGDUHEMKORJ-UHFFFAOYSA-N 45493 3-(2-pyrimidinylamino)-3H-isobenzofuran-1-one::3-(2-pyrimidylamino)phthalide::3-(Pyrimidin-2-ylamino)-3H-isobenzofuran-1-one::3-(pyrimidin-2-ylamino)-3H-2-benzofuran-1-one::MLS000559462::SMR000149578::cid_2990469 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45493&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2990469 252626091 ZINC02224800 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83894 COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1 InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17) LXMVXHNZRJORHN-UHFFFAOYSA-N 33480 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000569397::SMR000154983::cid_2316100::methyl 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 3848.673333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33480&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2316100 252616387 ZINC06372146 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83895 Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 InChI=1S/C14H13N3OS/c1-9-8-19-14(16-9)17-13(18)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-8,15H,6H2,1H3,(H,16,17,18) CLLSLEVELIETIF-UHFFFAOYSA-N 45494 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide::2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)ethanamide::2-(1H-indol-3-yl)-N-(4-methyl-2-thiazolyl)acetamide::2-(1H-indol-3-yl)-N-(4-methylthiazol-2-yl)acetamide::MLS000567204::SMR000153943::cid_2107595 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45494&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2107595 252626092 ZINC02644636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83896 COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1 InChI=1S/C11H10N4O3/c1-18-10(17)8-12-11(15-14-8)13-9(16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14,15,16) AHBGDSREPWVVFA-UHFFFAOYSA-N 33481 3-benzamido-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000564054::SMR000151640::cid_2314281::methyl 3-benzamido-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 92.446667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314281 252616388 ZINC12602627 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83897 CCOc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c[nH]c2ccccc12 InChI=1S/C24H22N6O3S/c1-3-32-17-10-8-16(9-11-17)30-23(19-13-25-20-7-5-4-6-18(19)20)27-28-24(30)34-14-22(31)26-21-12-15(2)33-29-21/h4-13,25H,3,14H2,1-2H3,(H,26,29,31) MYQHMINLHQDETO-UHFFFAOYSA-N 45495 2-[[(5Z)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide::2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide::2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide::2-[[(5Z)-5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide::MLS000565656::SMR000152760::cid_9551978 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45495&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9551978 252626093 ZINC18066802 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83898 CCC(CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O InChI=1S/C23H22N2O4S/c1-3-16(12-26)25-22(28)18-6-4-5-7-19(18)24-23(25)30-13-15-11-21(27)29-20-10-14(2)8-9-17(15)20/h4-11,16,26H,3,12-13H2,1-2H3 SSCVIULWJKQDQA-UHFFFAOYSA-N 45496 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(1-methylolpropyl)quinazolin-4-one::2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(1-oxidanylbutan-2-yl)quinazolin-4-one::3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone::3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one::MLS000536156::SMR000155468::cid_3962956 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45496&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3962956 252626094 ZINC02624743 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83899 Clc1cnc(C(=O)Nc2nc(cs2)-c2ccccn2)c(Cl)c1Cl InChI=1S/C14H7Cl3N4OS/c15-7-5-19-12(11(17)10(7)16)13(22)21-14-20-9(6-23-14)8-3-1-2-4-18-8/h1-6H,(H,20,21,22) SUOWMZPHLVFWFN-UHFFFAOYSA-N 45497 3,4,5-trichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide::3,4,5-trichloro-N-[4-(2-pyridinyl)-2-thiazolyl]-2-pyridinecarboxamide::3,4,5-trichloro-N-[4-(2-pyridyl)thiazol-2-yl]picolinamide::3,4,5-tris(chloranyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide::MLS000566270::SMR000153400::cid_2477237 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45497&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2477237 252626095 ZINC12484354 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83900 NC(=O)C(=NOC(=O)c1ccco1)c1nc(cs1)-c1ccc(Br)cc1 InChI=1S/C16H10BrN3O4S/c17-10-5-3-9(4-6-10)11-8-25-15(19-11)13(14(18)21)20-24-16(22)12-2-1-7-23-12/h1-8H,(H2,18,21) KKFZRIDKMCABNX-UHFFFAOYSA-N 33678 2-furancarboxylic acid [[2-amino-1-[4-(4-bromophenyl)-2-thiazolyl]-2-oxoethylidene]amino] ester::MLS000565342::SMR000152618::[[2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate::[[2-azanyl-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-ethylidene]amino] furan-2-carboxylate::cid_2321171::furan-2-carboxylic acid [[2-amino-1-[4-(4-bromophenyl)thiazol-2-yl]-2-keto-ethylidene]amino] ester Coagulation factor XII 20982.88 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33678&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6262269 252616579 ZINC12729008 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83901 CC(C)(C)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O InChI=1S/C20H23N3O3/c1-19(2,3)13-7-9-14(10-8-13)20(4)17(25)23(18(26)22-20)12-16(24)15-6-5-11-21-15/h5-11,21H,12H2,1-4H3,(H,22,26) XAERTESKPLXJJF-UHFFFAOYSA-N 45498 5-(4-tert-butylphenyl)-3-[2-keto-2-(1H-pyrrol-2-yl)ethyl]-5-methyl-hydantoin::5-(4-tert-butylphenyl)-5-methyl-3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione::5-(4-tert-butylphenyl)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione::MLS000565804::SMR000152944::cid_3536869 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45498&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3536869 252626096 ZINC03322947 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83902 Clc1cc(Cl)c(cc1C(=O)Nc1nnc(s1)-c1ccccc1)S(=O)(=O)N1CCOCC1 InChI=1S/C19H16Cl2N4O4S2/c20-14-11-15(21)16(31(27,28)25-6-8-29-9-7-25)10-13(14)17(26)22-19-24-23-18(30-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,22,24,26) IKIUPKGKSCTCCV-UHFFFAOYSA-N 45499 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide::2,4-dichloro-5-(4-morpholinylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide::2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide::2,4-dichloro-5-morpholinosulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide::MLS000530723::SMR000135701::cid_1322381 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45499&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1322381 252626097 ZINC01152294 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83903 Cc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1 InChI=1S/C20H23N3/c1-16-6-2-5-9-20(16)23-12-10-22(11-13-23)15-17-14-21-19-8-4-3-7-18(17)19/h2-9,14,21H,10-13,15H2,1H3 YQZHTUZDSCIWGT-UHFFFAOYSA-N 45500 3-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1H-indole::3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1H-indole::3-[[4-(o-tolyl)piperazino]methyl]-1H-indole::3-{[4-(2-methylphenyl)-1-piperazinyl]methyl}-1H-indole::MLS000532389::SMR000137347::cid_792487 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45500&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 792487 252626098 ZINC61705665 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83904 COC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2Cl)sc2CCCc12 InChI=1S/C20H17ClN2O4S/c1-10-15(17(23-27-10)11-6-3-4-8-13(11)21)18(24)22-19-16(20(25)26-2)12-7-5-9-14(12)28-19/h3-4,6,8H,5,7,9H2,1-2H3,(H,22,24) RYISEVBTXVQDOD-UHFFFAOYSA-N 45501 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester::2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester::MLS000535115::SMR000142548::cid_1001041::methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate::methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate::methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Coagulation factor XII 4243.006667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45501&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1001041 252626099 ZINC00656555 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83905 Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C23H17N4O7/c28-19-11-8-16(20(29)21(19)30)13-24-26-23(32)18(25-22(31)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)27(33)34/h1-13,29-30H,(H,25,31)(H,26,32)/q-1/p+1 QDMJJBLETHWCPO-UHFFFAOYSA-O 33091 MLS000530401::N-(2-(4-nitrophenyl)-1-{[2-(2,3,4-trihydroxybenzylidene)hydrazino]carbonyl}vinyl)benzamide::N-[(Z)-1-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]carbamoyl]-2-(4-nitrophenyl)vinyl]benzamide::N-[(Z)-3-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide::N-[(Z)-3-[2-[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]hydrazinyl]-1-(4-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide::N-[(Z)-3-[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide::SMR000135378::cid_5335755 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33091&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5335755 252616221 ZINC13130726 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83906 COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 InChI=1S/C11H12Cl2N4O2S/c1-19-3-2-14-9(18)6-20-11-16-15-10-8(13)4-7(12)5-17(10)11/h4-5H,2-3,6H2,1H3,(H,14,18) ZLUHERWQZSAXIH-UHFFFAOYSA-N 45502 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide::2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thio]-N-(2-methoxyethyl)acetamide::2-[[6,8-bis(chloranyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(2-methoxyethyl)ethanamide::MLS000568538::SMR000154687::cid_2522642 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45502&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2522642 252626100 ZINC03404021 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83907 Cc1cc(NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)c2c(Cl)cccc2Cl)no1 InChI=1S/C18H19Cl2N3O6S/c1-11-9-15(22-29-11)21-16(24)10-28-18(25)12-5-7-23(8-6-12)30(26,27)17-13(19)3-2-4-14(17)20/h2-4,9,12H,5-8,10H2,1H3,(H,21,22,24) IARBWSWWJRGJKJ-UHFFFAOYSA-N 45503 1-(2,6-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester::1-(2,6-dichlorophenyl)sulfonylisonipecotic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester::MLS000567063::SMR000153829::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate::[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate::cid_2490732 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45503&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2490732 252626101 ZINC03372967 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83908 Cc1ccc(cc1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 InChI=1S/C24H18N2O4/c1-15-6-8-16(9-7-15)25-13-20-18-4-2-3-5-19(18)23(27)26(24(20)28)17-10-11-21-22(12-17)30-14-29-21/h2-13,28H,14H2,1H3 LESNSXDKPWHJOO-UHFFFAOYSA-N 40265 (4E)-2-(1,3-benzodioxol-5-yl)-4-(p-toluidinomethylene)isoquinoline-1,3-quinone::(4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-methylanilino)methylidene]isoquinoline-1,3-dione::(4E)-2-(1,3-benzodioxol-5-yl)-4-[[(4-methylphenyl)amino]methylidene]isoquinoline-1,3-dione::MLS000568110::SMR000154414::cid_6155590 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=40265&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6155590 252621092 ZINC17519737 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83909 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)CCN1C(=O)c2ccccc2C1=O InChI=1S/C22H23N3O4/c1-14-8-9-15(2)18(12-14)23-19(26)13-24(3)20(27)10-11-25-21(28)16-6-4-5-7-17(16)22(25)29/h4-9,12H,10-11,13H2,1-3H3,(H,23,26) RLDMRPHRFBJWCC-UHFFFAOYSA-N 45504 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-propanamide::MLS000568595::N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-3-phthalimido-propionamide::N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxo-2-isoindolyl)-N-methylpropanamide::N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide::SMR000154663::cid_2672602 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45504&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2672602 252626102 ZINC03555366 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83910 Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1 InChI=1S/C14H11Cl2N5/c15-11-7-6-10(13(16)8-11)9-17-14-18-19-20-21(14)12-4-2-1-3-5-12/h1-8H,9H2,(H,17,18,20) SGEHVLXNVNBLRX-UHFFFAOYSA-N 45505 (2,4-dichlorobenzyl)-(1-phenyltetrazol-5-yl)amine::MLS000567815::N-[(2,4-dichlorophenyl)methyl]-1-phenyl-1,2,3,4-tetrazol-5-amine::N-[(2,4-dichlorophenyl)methyl]-1-phenyl-5-tetrazolamine::N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine::SMR000154354::cid_2537679 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45505&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2537679 252626103 ZINC03418537 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83911 O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)N1CC(=O)Nc2ccccc12 InChI=1S/C26H20N2O6/c29-23-14-28(21-12-6-5-11-20(21)27-23)24(30)16-33-26(31)25-19(15-32-17-8-2-1-3-9-17)18-10-4-7-13-22(18)34-25/h1-13H,14-16H2,(H,27,29) NURLKZGSTCGWDF-UHFFFAOYSA-N 45506 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester::3-(phenoxymethyl)coumarilic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester::MLS000535853::SMR000151339::[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate::[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate::cid_2091406 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45506&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2091406 252626104 ZINC02629029 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83912 Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CC2)c2ccc(F)cc2)c1C InChI=1S/C22H24FN3O2S/c1-15-16(2)29-22(24-21(27)20-4-3-13-28-20)19(15)14-25-9-11-26(12-10-25)18-7-5-17(23)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,24,27) RXOZQHFEQXFBKO-UHFFFAOYSA-N 45507 MLS000572203::N-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4,5-dimethyl-2-thiophenyl]-2-furancarboxamide::N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide::N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide::N-[3-[[4-(4-fluorophenyl)piperazino]methyl]-4,5-dimethyl-2-thienyl]-2-furamide::SMR000151256::cid_1523541 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45507&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1523541 252626105 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83913 FC(F)Oc1ccccc1NC(=O)COC(=O)COc1ccccc1Cl InChI=1S/C17H14ClF2NO5/c18-11-5-1-3-7-13(11)24-10-16(23)25-9-15(22)21-12-6-2-4-8-14(12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22) CCTMNERXODMUJJ-UHFFFAOYSA-N 45508 2-(2-chlorophenoxy)acetic acid [2-[2-(difluoromethoxy)anilino]-2-keto-ethyl] ester::2-(2-chlorophenoxy)acetic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester::MLS000571511::SMR000150938::[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate::[2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-chloranylphenoxy)ethanoate::cid_2085749 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45508&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2085749 252626106 ZINC02623784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83914 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 InChI=1S/C21H19N3O3S2/c1-24(18-10-6-3-7-11-18)29(26,27)19-14-12-17(13-15-19)22-21(28)23-20(25)16-8-4-2-5-9-16/h2-15H,1H3,(H2,22,23,25,28) KZECXBUILGMOES-UHFFFAOYSA-N 45509 4-{[(benzoylamino)carbothioyl]amino}-N-methyl-N-phenylbenzenesulfonamide::MLS000540196::N-[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide::N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide::N-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide::SMR000162365::cid_1226740 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45509&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1226740 252626107 ZINC01003874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83915 COC(=O)c1sccc1NC(=O)\C=C\c1c(Cl)cccc1Cl InChI=1S/C15H11Cl2NO3S/c1-21-15(20)14-12(7-8-22-14)18-13(19)6-5-9-10(16)3-2-4-11(9)17/h2-8H,1H3,(H,18,19)/b6-5+ WFJSYTNCVIRTKT-AATRIKPKSA-N 45510 3-[[(E)-3-(2,6-dichlorophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester::3-[[(E)-3-(2,6-dichlorophenyl)acryloyl]amino]thiophene-2-carboxylic acid methyl ester::MLS000538062::SMR000159484::cid_998138::methyl 3-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate::methyl 3-[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoyl]amino]thiophene-2-carboxylate::methyl 3-{[3-(2,6-dichlorophenyl)acryloyl]amino}-2-thiophenecarboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45510&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 998138 252626108 ZINC00652221 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83916 COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[nH]1 InChI=1S/C11H9ClN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-4-2-3-5-7(6)12/h2-5H,1H3,(H2,13,14,15,16,17) HTNXZTLBVIXWCB-UHFFFAOYSA-N 33695 3-[(2-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(2-chlorophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000564035::SMR000151648::cid_2314691::methyl 3-[(2-chlorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(2-chlorophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Coagulation factor XII 1047.786667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33695&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2314691 252616595 ZINC06372155 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83917 COc1cccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)c1OC InChI=1S/C23H19N5O4S2/c1-31-17-10-5-7-14(20(17)32-2)13-25-28-22(24)21(34(29,30)18-11-6-12-33-18)19-23(28)27-16-9-4-3-8-15(16)26-19/h3-13H,24H2,1-2H3 NLGTUEHPOCXZNF-UHFFFAOYSA-N 45511 1-[(2,3-dimethoxyphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine::1-[(2,3-dimethoxyphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine::1-[(2,3-dimethoxyphenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine::MLS000558085::N*1*-[1-(2,3-Dimethoxy-phenyl)-meth-(E)-ylidene]-3-(thiophene-2-sulfonyl)-pyrrolo[2,3-b]quinoxaline-1,2 -diamine::SMR000148801::[1-[(2,3-dimethoxybenzylidene)amino]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine::cid_1996350 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45511&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6889806 252626109 ZINC33365176 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83918 CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1 InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20) CSZFJKLNCKEZQL-UHFFFAOYSA-N 33697 2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000327834::SMR000180809::cid_4271676::ethyl 2-({3-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate::ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Coagulation factor XII 964.543333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4271676 252616597 ZINC06206230 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83919 CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)[nH]1 InChI=1S/C13H13FN4O3S/c1-2-21-10(19)7-22-13-16-12(17-18-13)15-11(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18,20) XSOYOULBWYMABG-UHFFFAOYSA-N 45512 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[5-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000327844::SMR000180810::cid_3730313::ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate::ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl 2-[[5-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Coagulation factor XII 4359.1 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45512&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3730313 252626110 ZINC08672515 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83920 Cc1cccc(c1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 InChI=1S/C15H13NO4S2/c1-10-3-2-4-11(9-10)14(17)20-16-13-6-8-22(18,19)15-12(13)5-7-21-15/h2-5,7,9H,6,8H2,1H3 NTMKNFQVFJKHQJ-UHFFFAOYSA-N 45513 3-methylbenzoic acid [(7,7-diketo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester::3-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester::4-{[(3-methylbenzoyl)oxy]imino}-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione::MLS000326524::SMR000179128::[(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-methylbenzoate::[[7,7-bis(oxidanylidene)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene]amino] 3-methylbenzoate::cid_1480156 Coagulation factor XII 36219.19667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45513&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6138327 252626111 ZINC15986969 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83921 CCOC(=O)C[n+]1c(C)sc2ccc(OC)cc12 InChI=1S/C13H16NO3S/c1-4-17-13(15)8-14-9(2)18-12-6-5-10(16-3)7-11(12)14/h5-7H,4,8H2,1-3H3/q+1 HXZISDJOJKSRSG-UHFFFAOYSA-N 45514 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester;bromide::3-Ethoxycarbonylmethyl-5-methoxy-2-methyl-benzothiazol-3-ium::MLS000568400::SMR000175203::cid_11957310::ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate;bromide::ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate;bromide Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45514&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3108938 252626112 ZINC04713925 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83922 Cc1ccc(CN=Nc2nc3ccc(Cl)cc3[nH]2)o1 InChI=1S/C13H11ClN4O/c1-8-2-4-10(19-8)7-15-18-13-16-11-5-3-9(14)6-12(11)17-13/h2-6H,7H2,1H3,(H,16,17) MIIOTYGZBGESKG-UHFFFAOYSA-N 45515 (6-chloro-1H-benzimidazol-2-yl)-[(5-methyl-2-furyl)methyleneamino]amine::6-chloranyl-N-[(5-methylfuran-2-yl)methylideneamino]-1H-benzimidazol-2-amine::6-chloro-N-[(5-methyl-2-furanyl)methylideneamino]-1H-benzimidazol-2-amine::6-chloro-N-[(5-methylfuran-2-yl)methylideneamino]-1H-benzimidazol-2-amine::MLS000562236::N-(5-Chloro-1H-benzoimidazol-2-yl)-N'-(5-methyl-furan-2-ylmethylene)-hydrazine::SMR000175616::cid_3113084 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45515&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896662 252626113 ZINC13479012 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83923 Cc1ccc(o1)C(=O)NCCNc1ccc(Cl)cc1[N+]([O-])=O InChI=1S/C14H14ClN3O4/c1-9-2-5-13(22-9)14(19)17-7-6-16-11-4-3-10(15)8-12(11)18(20)21/h2-5,8,16H,6-7H2,1H3,(H,17,19) FYZKTBZTLDBJBM-UHFFFAOYSA-N 45516 5-Methyl-furan-2-carboxylic acid [2-(4-chloro-2-nitro-phenylamino)-ethyl]-amide::MLS000561670::N-[2-(4-chloro-2-nitro-anilino)ethyl]-5-methyl-2-furamide::N-[2-(4-chloro-2-nitroanilino)ethyl]-5-methyl-2-furancarboxamide::N-[2-(4-chloro-2-nitroanilino)ethyl]-5-methylfuran-2-carboxamide::N-[2-[(4-chloranyl-2-nitro-phenyl)amino]ethyl]-5-methyl-furan-2-carboxamide::SMR000177263::cid_2864300 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45516&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2864300 252626114 ZINC04974046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83924 O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1nccs1 InChI=1S/C21H22N4O3S2/c26-18(24-21-22-10-12-30-21)8-9-20(28)25(14-17-7-4-11-29-17)15-19(27)23-13-16-5-2-1-3-6-16/h1-7,10-12H,8-9,13-15H2,(H,23,27)(H,22,24,26) ZPVRVGRPRCCHFM-UHFFFAOYSA-N 45517 MLS000551058::N'-[2-(benzylamino)-2-keto-ethyl]-N'-(2-thenyl)-N-thiazol-2-yl-succinamide::N'-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide::N'-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide::N'-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(2-thiazolyl)-N'-(thiophen-2-ylmethyl)butanediamide::N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-thiophen-2-ylmethyl-succinamide::SMR000173089::cid_3205311 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45517&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3205311 252626115 ZINC08649056 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83925 [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1 InChI=1S/C14H8N2O4/c17-14-9-5-1-3-7-11(9)15-13(20-14)10-6-2-4-8-12(10)16(18)19/h1-8H DWCFIKGNUJGZBZ-UHFFFAOYSA-N 33703 2-(2-Nitro-phenyl)-benzo[d][1,3]oxazin-4-one::2-(2-Nitrophenyl)-4H-3,1-benzoxazin-4-one (9)::2-(2-nitrophenyl)-3,1-benzoxazin-4-one::MLS000551096::SMR000174492::US11584714, Compound 14::cid_347675 Coagulation factor XII 12803.29 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33703&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 347675 252616603 ZINC00179747 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83926 CN1C(=O)C(=NOC(=O)c2ccccc2)c2ccccc12 InChI=1S/C16H12N2O3/c1-18-13-10-6-5-9-12(13)14(15(18)19)17-21-16(20)11-7-3-2-4-8-11/h2-10H,1H3 GBWUJDAJZFVEBT-UHFFFAOYSA-N 32839 MLS000556117::SMR000174869::[(1-methyl-2-oxidanylidene-indol-3-ylidene)amino] benzoate::[(1-methyl-2-oxoindol-3-ylidene)amino] benzoate::benzoic acid [(1-methyl-2-oxo-3-indolylidene)amino] ester::benzoic acid [(2-keto-1-methyl-indolin-3-ylidene)amino] ester::cid_815192 Coagulation factor XII 4925.526667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32839&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5755410 252615975 ZINC13111876 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83927 [O-][N+](=O)c1cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccccc2Cl)ccc1Cl InChI=1S/C21H21Cl2N3O4/c22-17-9-5-4-8-16(17)21(28)25(15-6-2-1-3-7-15)13-20(27)24-14-10-11-18(23)19(12-14)26(29)30/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,27) MWXFTOXDRVAKHI-UHFFFAOYSA-N 45518 2-Chloro-N-[(4-chloro-3-nitro-phenylcarbamoyl)-methyl]-N-cyclohexyl-benzamide::2-chloranyl-N-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-N-cyclohexyl-benzamide::2-chloro-N-[2-(4-chloro-3-nitro-anilino)-2-keto-ethyl]-N-cyclohexyl-benzamide::2-chloro-N-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]-N-cyclohexylbenzamide::MLS000551159::SMR000176709::cid_1117368 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45518&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1117368 252626116 ZINC00853516 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83928 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1 InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32) COFXHMAGNCARMW-UHFFFAOYSA-N 45519 2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-4-quinolinecarboxamide::2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide::2-(2,4-dimethylphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide::2-(2,4-dimethylphenyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]cinchoninamide::MLS000540783::SMR000162174::cid_1011349 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45519&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1011349 252626117 ZINC00671945 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83929 Fc1ccccc1C(=O)NC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12 InChI=1S/C25H22FN3O2S/c26-19-8-2-1-7-18(19)24(30)27-17-13-15-28(16-14-17)25(31)29-20-9-3-5-11-22(20)32-23-12-6-4-10-21(23)29/h1-12,17H,13-16H2,(H,27,30) SRTIJFGIXUBGAF-UHFFFAOYSA-N 45520 2-Fluoro-N-[1-(phenothiazine-10-carbonyl)-piperidin-4-yl]-benzamide::2-fluoranyl-N-(1-phenothiazin-10-ylcarbonylpiperidin-4-yl)benzamide::2-fluoro-N-[1-(phenothiazine-10-carbonyl)-4-piperidyl]benzamide::2-fluoro-N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]benzamide::2-fluoro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide::MLS000550773::SMR000173336::cid_3218494 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45520&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3218494 252626118 ZINC08686086 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83930 Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1 InChI=1S/C13H10Cl2N2O2/c1-7-5-12(17-8(2)16-7)19-13(18)10-4-3-9(14)6-11(10)15/h3-6H,1-2H3 KVWGWLYVGGZBSZ-UHFFFAOYSA-N 45521 (2,6-dimethylpyrimidin-4-yl) 2,4-bis(chloranyl)benzoate::(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate::2,4-dichlorobenzoic acid (2,6-dimethyl-4-pyrimidinyl) ester::2,4-dichlorobenzoic acid (2,6-dimethylpyrimidin-4-yl) ester::2,6-dimethyl-4-pyrimidinyl 2,4-dichlorobenzenecarboxylate::MLS000546431::SMR000169601::cid_1476061 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45521&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1476061 252626119 ZINC01388250 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83931 CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)[nH]1 InChI=1S/C13H14N4O3S/c1-2-20-10(18)8-21-13-15-12(16-17-13)14-11(19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16,17,19) YFOBXIFGQIGNEC-UHFFFAOYSA-N 33716 2-[(5-benzamido-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester::MLS000327765::SMR000180812::cid_3778136::ethyl 2-[(5-benzamido-1H-1,2,4-triazol-3-yl)sulfanyl]acetate::ethyl 2-[(5-benzamido-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate::ethyl 2-{[3-(benzoylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate Coagulation factor XII 945.193333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33716&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3778136 252616616 ZINC08773061 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83932 COc1ccc(cc1)C(=O)Oc1cc(C)nn2cnnc12 InChI=1S/C14H12N4O3/c1-9-7-12(13-16-15-8-18(13)17-9)21-14(19)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3 TZNSQCSCCALZRS-UHFFFAOYSA-N 32845 (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzoate::4-methoxybenzoic acid (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) ester::6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl 4-methoxybenzenecarboxylate::MLS000327228::SMR000179739::cid_3265032 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32845&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3265032 252615981 ZINC06188744 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83933 CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1 InChI=1S/C15H15ClO3/c1-15(2)8-12(17)7-13(9-15)19-14(18)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3 KKORKSCDUXGMSV-UHFFFAOYSA-N 32847 (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-chloranylbenzoate::(5,5-dimethyl-3-oxocyclohexen-1-yl) 4-chlorobenzoate::4-chlorobenzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester::4-chlorobenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester::5,5-dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate::MLS000326693::SMR000179255::cid_2732003 Coagulation factor XII 15543.91333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2732003 252615983 ZINC00099658 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83934 CCOC(=O)C(C(=O)NCc1cccc(OC)c1)c1ncc(cc1Cl)C(F)(F)F InChI=1S/C19H18ClF3N2O4/c1-3-29-18(27)15(16-14(20)8-12(10-24-16)19(21,22)23)17(26)25-9-11-5-4-6-13(7-11)28-2/h4-8,10,15H,3,9H2,1-2H3,(H,25,26) CXDSUTPRHKIHHA-UHFFFAOYSA-N 45522 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(3-methoxyphenyl)methylamino]-3-oxopropanoic acid ethyl ester::2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-keto-3-(m-anisylamino)propionic acid ethyl ester::MLS000327002::SMR000179556::cid_3715060::ethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propanoate::ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(3-methoxybenzyl)amino]-3-oxopropanoate::ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(3-methoxyphenyl)methylamino]-3-oxopropanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45522&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3715060 252626120 ZINC08773039 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83935 CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1cccc(Cl)c1 InChI=1S/C13H13ClN2O4S2/c1-16(2)22(18,19)20-11-6-7-21-12(11)13(17)15-10-5-3-4-9(14)8-10/h3-8H,1-2H3,(H,15,17) CHPCYGXMUWOUBN-UHFFFAOYSA-N 45523 2-[(3-chloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate::MLS000327935::N,N-dimethylsulfamic acid [2-[(3-chloroanilino)-oxomethyl]-3-thiophenyl] ester::N,N-dimethylsulfamic acid [2-[(3-chlorophenyl)carbamoyl]-3-thienyl] ester::SMR000168513::[2-[(3-chlorophenyl)carbamoyl]thiophen-3-yl] N,N-dimethylsulfamate::cid_3738890 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45523&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3738890 252626121 ZINC03125288 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83936 Cc1ccc(cc1)C(=O)OC1=CC(=O)CC(C)(C)C1 InChI=1S/C16H18O3/c1-11-4-6-12(7-5-11)15(18)19-14-8-13(17)9-16(2,3)10-14/h4-8H,9-10H2,1-3H3 WULVYUZAMHODCN-UHFFFAOYSA-N 32848 (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzoate::(5,5-dimethyl-3-oxocyclohexen-1-yl) 4-methylbenzoate::4-methylbenzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester::4-methylbenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester::5,5-dimethyl-3-oxo-1-cyclohexenyl 4-methylbenzenecarboxylate::MLS000326873::SMR000179463::cid_1474654 Coagulation factor XII 10035.51333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32848&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1474654 252615984 ZINC01386455 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83937 Cc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc12 InChI=1S/C18H21N3O2S/c1-12-7-5-6-8-15(12)10-21-11-19-18-16(21)9-13(2)14(3)17(18)20-24(4,22)23/h5-9,11,20H,10H2,1-4H3 LUPCQHWBVTUKBT-UHFFFAOYSA-N 45524 MLS000328039::N-[5,6-dimethyl-1-(2-methylbenzyl)-1H-1,3-benzimidazol-4-yl]methanesulfonamide::N-[5,6-dimethyl-1-(2-methylbenzyl)benzimidazol-4-yl]methanesulfonamide::N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]-4-benzimidazolyl]methanesulfonamide::N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide::SMR000168554::cid_1479115 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45524&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1479115 252626122 ZINC01391864 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83938 CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C13H12Cl2N2O4S2/c1-17(2)23(19,20)21-11-5-6-22-12(11)13(18)16-8-3-4-9(14)10(15)7-8/h3-7H,1-2H3,(H,16,18) FTEBNUHKCHOBIO-UHFFFAOYSA-N 45525 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate::MLS000327916::N,N-dimethylsulfamic acid [2-[(3,4-dichloroanilino)-oxomethyl]-3-thiophenyl] ester::N,N-dimethylsulfamic acid [2-[(3,4-dichlorophenyl)carbamoyl]-3-thienyl] ester::SMR000168511::[2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-yl] N,N-dimethylsulfamate::cid_3830300 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45525&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3830300 252626123 ZINC03125272 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83939 CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O InChI=1S/C15H18N2O3/c1-15(2)8-10(7-11(18)9-15)16-17-14(20)12-5-3-4-6-13(12)19/h3-7,16,19H,8-9H2,1-2H3,(H,17,20) KFDZBIOHUZHVNU-UHFFFAOYSA-N 43833 2-hydroxy-N''''-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide::2-hydroxy-N''-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide::2-hydroxy-N'-(3-keto-5,5-dimethyl-cyclohexen-1-yl)benzohydrazide::Glucosamine derivative, 6::MLS000576033::N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-2-hydroxybenzohydrazide::N''''-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-2-oxidanyl-benzohydrazide::N''''-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-2-hydroxybenzohydrazide::N''''-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-hydroxybenzohydrazide::SMR000185773::cid_749340 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43833&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 749340 123080191 ZINC04551142 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83940 Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1 InChI=1S/C23H20ClNO/c24-19-13-11-17(12-14-19)21-15-25(20-9-5-2-6-10-20)16-22(21)23(26)18-7-3-1-4-8-18/h1-14,21-22H,15-16H2/t21-,22+/m0/s1 IKZMLJRPGOEGAR-FCHUYYIVSA-N 50099308 CHEMBL409360::[(3S,4R)-4-(4-Chloro-phenyl)-1-phenyl-pyrrolidin-3-yl]-phenyl-methanone::cid_5193459 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50099308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50099308&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6558223 103996224 CHEMBL409360 ZINC12959518 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83941 Cc1cc(C)c(C)c(c1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O InChI=1S/C18H17NO5S/c1-10-9-11(2)13(4)16(12(10)3)25(22,23)24-19-17(20)14-7-5-6-8-15(14)18(19)21/h5-9H,1-4H3 QVHBEADFXGHPAA-UHFFFAOYSA-N 32849 (1,3-dioxoisoindol-2-yl) 2,3,5,6-tetramethylbenzenesulfonate::2,3,5,6-tetramethylbenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester::2,3,5,6-tetramethylbenzenesulfonic acid phthalimido ester::2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]oxy}-1H-isoindole-1,3(2H)-dione::MLS000582866::SMR000201571::[1,3-bis(oxidanylidene)isoindol-2-yl] 2,3,5,6-tetramethylbenzenesulfonate::cid_2238214 Coagulation factor XII 12908.16667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2238214 252615985 ZINC02886098 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83942 Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 InChI=1S/C21H15NO6/c1-12-10-19(24)28-17-11-13(6-7-14(12)17)27-18(23)8-9-22-20(25)15-4-2-3-5-16(15)21(22)26/h2-7,10-11H,8-9H2,1H3 CNXFUCHWWVCFBK-UHFFFAOYSA-N 45527 (4-methyl-2-oxidanylidene-chromen-7-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate::(4-methyl-2-oxochromen-7-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate::3-(1,3-dioxo-2-isoindolyl)propanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester::3-phthalimidopropionic acid (2-keto-4-methyl-chromen-7-yl) ester::4-methyl-2-oxo-2H-chromen-7-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate::MLS000576119::SMR000185143::cid_1184687 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45527&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1184687 252626124 ZINC00945277 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83943 Cc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1 InChI=1S/C23H20N4O2S/c1-18-12-14-19(15-13-18)23-20(17-27(25-23)21-8-4-2-5-9-21)16-24-26-30(28,29)22-10-6-3-7-11-22/h2-17,26H,1H3 ZSVXXHYMGRQADR-UHFFFAOYSA-N 45528 MLS000578741::N'-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide::N-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]benzenesulfonamide::N-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]benzenesulfonamide::N-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzenesulfonamide::N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide::SMR000186234::cid_1360492 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45528&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6896191 252626125 ZINC33321727 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83944 Cc1ccc(cc1)C(=O)ONc1ccc(cc1)N=O InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)14(17)19-16-13-8-6-12(15-18)7-9-13/h2-9,16H,1H3 YVDXTELTYFBBQL-UHFFFAOYSA-N 45529 (4-nitrosoanilino) 4-methylbenzoate::4-methylbenzoic acid (4-nitrosoanilino) ester::MLS000574149::SMR000195735::[(4-nitrosophenyl)amino] 4-methylbenzoate::benzo-1,4-quinone O-(4-methylbenzoyl)oxime oxime::cid_885280 Coagulation factor XII 29820.57333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45529&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 885280 252626126 ZINC08687537 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83945 CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 InChI=1S/C14H13N3O5S2/c1-9(18)17-24(20,21)11-6-4-10(5-7-11)15-14(23)16-13(19)12-3-2-8-22-12/h2-8H,1H3,(H,17,18)(H2,15,16,19,23) JBEDJYDIYZFRRT-UHFFFAOYSA-N 45530 MLS000575734::N-[({4-[(acetylamino)sulfonyl]phenyl}amino)carbonothioyl]-2-furamide::N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide::N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide::N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-2-furamide::N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide::SMR000196770::cid_2293443 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45530&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2293443 252626127 ZINC02996710 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83946 Cc1cc([nH]n1)C(=O)NN=Cc1cccc(OC(=O)c2ccco2)c1 InChI=1S/C17H14N4O4/c1-11-8-14(20-19-11)16(22)21-18-10-12-4-2-5-13(9-12)25-17(23)15-6-3-7-24-15/h2-10H,1H3,(H,19,20)(H,21,22) UFLDJWQXONMZOY-UHFFFAOYSA-N 45531 2-furancarboxylic acid [3-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester::Furan-2-carboxylic acid 3-[(5-methyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl]-phenyl ester::MLS000563324::SMR000177204::[3-[[(5-methyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] furan-2-carboxylate::[3-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate::cid_833771::furan-2-carboxylic acid [3-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Coagulation factor XII 3267.33 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45531&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9594647 252626128 ZINC33308017 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83947 C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12 InChI=1S/C16H13N3O/c1-12(11-13-7-3-2-4-8-13)16(20)19-15-10-6-5-9-14(15)17-18-19/h2-11H,1H3/b12-11+ HHJAWIYTXXKCQC-VAWYXSNFSA-N 32852 (E)-1-(1-benzotriazolyl)-2-methyl-3-phenyl-2-propen-1-one::(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenyl-prop-2-en-1-one::(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one::1-(2-methyl-3-phenylacryloyl)-1H-1,2,3-benzotriazole::MLS000577083::SMR000198163::cid_5737607 Coagulation factor XII 9490.25 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32852&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5737607 252615988 ZINC04680387 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83948 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCC1=CCCCC1)Cc1ccccc1 InChI=1S/C24H30N2O3S/c1-20-12-14-23(15-13-20)30(28,29)26(18-22-10-6-3-7-11-22)19-24(27)25-17-16-21-8-4-2-5-9-21/h3,6-8,10-15H,2,4-5,9,16-19H2,1H3,(H,25,27) LARASQYZTMCTHB-UHFFFAOYSA-N 45532 2-[benzyl(tosyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide::2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide::MLS000576423::N-[2-(1-cyclohexenyl)ethyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]acetamide::N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanamide::N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-methylphenyl)sulfonyl]glycinamide::SMR000197092::cid_2300597 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45532&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2300597 252626129 ZINC03004400 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83949 CCN1C(C)=C(C(=O)OC)\C(=C\c2ccco2)C1=O InChI=1S/C14H15NO4/c1-4-15-9(2)12(14(17)18-3)11(13(15)16)8-10-6-5-7-19-10/h5-8H,4H2,1-3H3/b11-8- NPYZARSEJHVMRF-FLIBITNWSA-N 45533 (4Z)-1-ethyl-4-(2-furanylmethylidene)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester::(4Z)-1-ethyl-4-(2-furfurylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester::MLS000576641::SMR000197109::cid_2300736::methyl (4Z)-1-ethyl-4-(furan-2-ylmethylidene)-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate::methyl (4Z)-1-ethyl-4-(furan-2-ylmethylidene)-2-methyl-5-oxopyrrole-3-carboxylate::methyl 1-ethyl-4-(2-furylmethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45533&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2300736 252626130 ZINC00312911 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83950 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C(C)=C1 InChI=1S/C17H17NO6/c1-10-7-12(5-6-13(10)19)18-24-17(20)11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3 ZXKWLZOEJKQYPH-UHFFFAOYSA-N 34732 2-methylbenzo-1,4-quinone 4-[O-(3,4,5-trimethoxybenzoyl)oxime]::3,4,5-trimethoxybenzoic acid [(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3,4,5-trimethoxybenzoic acid [(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000577188::SMR000197297::[(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::[(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::cid_710787 Coagulation factor XII 622.923333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34732&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5547932 252617380 ZINC04746933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83951 Clc1ccc(Cl)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 InChI=1S/C17H14Cl5N3OS/c18-11-6-7-12(19)13(9-11)23-16(27)25-15(17(20,21)22)24-14(26)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,24,26)(H2,23,25,27) VZYJKEIYBZAVDV-UHFFFAOYSA-N 45534 2-phenyl-N-[2,2,2-trichloro-1-({[(2,5-dichlorophenyl)amino]carbonothioyl}amino)ethyl]acetamide::2-phenyl-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]acetamide::2-phenyl-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)thiocarbamoylamino]ethyl]acetamide::2-phenyl-N-[2,2,2-trichloro-1-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide::MLS000573677::N-[1-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-2-phenyl-ethanamide::SMR000184526::cid_2830067 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45534&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2830067 252626131 ZINC01232155 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83952 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccco1 InChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)28(19-21-8-3-2-4-9-21)25-12-6-5-11-24(25)26(29)27-18-22-10-7-17-32-22/h2-17H,18-19H2,1H3,(H,27,29) YHLJDYHFZNAZDF-UHFFFAOYSA-N 45535 2-[benzyl(tosyl)amino]-N-(2-furfuryl)benzamide::2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide::2-{benzyl[(4-methylphenyl)sulfonyl]amino}-N-(2-furylmethyl)benzamide::MLS000572554::N-(2-furanylmethyl)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide::N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide::SMR000194053::cid_1367993 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45535&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1367993 252626132 ZINC01213766 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83953 CN1C(=O)C(=NOC(=O)c2cccc(C)c2)c2ccccc12 InChI=1S/C17H14N2O3/c1-11-6-5-7-12(10-11)17(21)22-18-15-13-8-3-4-9-14(13)19(2)16(15)20/h3-10H,1-2H3 IJHNNYZJAPTFPJ-UHFFFAOYSA-N 45536 1-methyl-1H-indole-2,3-dione 3-[O-(3-methylbenzoyl)oxime]::3-methylbenzoic acid [(1-methyl-2-oxo-3-indolylidene)amino] ester::3-methylbenzoic acid [(2-keto-1-methyl-indolin-3-ylidene)amino] ester::MLS000595192::SMR000184933::[(1-methyl-2-oxidanylidene-indol-3-ylidene)amino] 3-methylbenzoate::[(1-methyl-2-oxoindol-3-ylidene)amino] 3-methylbenzoate::cid_789258 Coagulation factor XII 4158.386667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45536&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5406656 252626133 ZINC00288871 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83954 Fc1ccccc1C(=O)Nc1ccc(cc1)C1(CCCC1)C#N InChI=1S/C19H17FN2O/c20-17-6-2-1-5-16(17)18(23)22-15-9-7-14(8-10-15)19(13-21)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2,(H,22,23) NPJCZPMYQRFMMB-UHFFFAOYSA-N 45537 MLS000579844::N-[4-(1-cyanocyclopentyl)phenyl]-2-fluoranyl-benzamide::N-[4-(1-cyanocyclopentyl)phenyl]-2-fluoro-benzamide::N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide::SMR000199083::cid_975128 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45537&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 975128 252626134 ZINC00616506 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83955 Cc1nn2c(CN(C(=O)CN3CCOCC3)c3ccccc3)nnc2c2ccccc12 InChI=1S/C23H24N6O2/c1-17-19-9-5-6-10-20(19)23-25-24-21(29(23)26-17)15-28(18-7-3-2-4-8-18)22(30)16-27-11-13-31-14-12-27/h2-10H,11-16H2,1H3 HFDCGSYTMQPACM-UHFFFAOYSA-N 45538 MLS000583228::N-[(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-(4-morpholinyl)-N-phenylacetamide::N-[(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-morpholin-4-yl-N-phenyl-ethanamide::N-[(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-morpholin-4-yl-N-phenylacetamide::N-[(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-morpholino-N-phenyl-acetamide::N-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-(4-morpholinyl)-N-phenylacetamide::SMR000201062::cid_1243622 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45538&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1243622 252626135 ZINC19874177 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83956 Cc1ccc(c(C)c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O InChI=1S/C16H13NO5S/c1-10-7-8-14(11(2)9-10)23(20,21)22-17-15(18)12-5-3-4-6-13(12)16(17)19/h3-9H,1-2H3 CFYUCVMWWSCWHI-UHFFFAOYSA-N 32853 (1,3-dioxoisoindol-2-yl) 2,4-dimethylbenzenesulfonate::2,4-dimethylbenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester::2,4-dimethylbenzenesulfonic acid phthalimido ester::2-{[(2,4-dimethylphenyl)sulfonyl]oxy}-1H-isoindole-1,3(2H)-dione::MLS000579570::SMR000199007::[1,3-bis(oxidanylidene)isoindol-2-yl] 2,4-dimethylbenzenesulfonate::cid_2196572 Coagulation factor XII 8476.46 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32853&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2196572 252615989 ZINC02840971 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83957 Cc1ccc(C)c(c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O InChI=1S/C16H13NO5S/c1-10-7-8-11(2)14(9-10)23(20,21)22-17-15(18)12-5-3-4-6-13(12)16(17)19/h3-9H,1-2H3 ZNJYKWXQBAFTQM-UHFFFAOYSA-N 32854 (1,3-dioxoisoindol-2-yl) 2,5-dimethylbenzenesulfonate::2,5-dimethylbenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester::2,5-dimethylbenzenesulfonic acid phthalimido ester::2-{[(2,5-dimethylphenyl)sulfonyl]oxy}-1H-isoindole-1,3(2H)-dione::MLS000579503::SMR000198938::[1,3-bis(oxidanylidene)isoindol-2-yl] 2,5-dimethylbenzenesulfonate::cid_2195947 Coagulation factor XII 2594.216667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32854&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2195947 252615990 ZINC02840326 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83958 COC(=O)CC1N(CCNC1=O)C(=S)Nc1cccc(C)c1 InChI=1S/C15H19N3O3S/c1-10-4-3-5-11(8-10)17-15(22)18-7-6-16-14(20)12(18)9-13(19)21-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,20)(H,17,22) NLVPATXVFMATLN-UHFFFAOYSA-N 45539 2-[1-[(3-methylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester::2-[3-keto-1-(m-tolylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester::MLS000580075::SMR000199319::cid_2949761::methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate::methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate::methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45539&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2949761 252626136 ZINC13483150 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83959 Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C InChI=1S/C12H13N3O2/c1-7-4-3-5-9(8(7)2)13-10-6-11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17) KERORBSHJQVAQD-UHFFFAOYSA-N 45540 6-(2,3-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dione::6-(2,3-dimethylanilino)-1H-pyrimidine-2,4-dione::6-(2,3-dimethylanilino)uracil::6-[(2,3-dimethylphenyl)amino]-1H-pyrimidine-2,4-dione::CHEMBL125067::MLS000554506::SMR000171836::cid_308647 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45540&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 308647 252626137 CHEMBL125067 ZINC00262567 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83960 O=C1N(OS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 InChI=1S/C14H9NO5S/c16-13-11-8-4-5-9-12(11)14(17)15(13)20-21(18,19)10-6-2-1-3-7-10/h1-9H BFCNIOLRCHODJL-UHFFFAOYSA-N 32857 (1,3-dioxoisoindol-2-yl) benzenesulfonate::Benzenesulfonic acid 1,3-dioxo-1,3-dihydro-isoindol-2-yl ester::MLS000567450::SMR000173772::[1,3-bis(oxidanylidene)isoindol-2-yl] benzenesulfonate::benzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester::benzenesulfonic acid phthalimido ester::cid_278068 Coagulation factor XII 1605.346667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 278068 252615992 ZINC01715695 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83961 Cc1ccc(cc1)C(=O)N\C(=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C(=O)NC(C)(C)C InChI=1S/C25H25N3O5/c1-16-8-10-17(11-9-16)23(29)26-21(24(30)27-25(2,3)4)15-20-12-13-22(33-20)18-6-5-7-19(14-18)28(31)32/h5-15H,1-4H3,(H,26,29)(H,27,30)/b21-15+ WGXNPTNIXGROQI-RCCKNPSSSA-N 45541 MLS000568774::N-[(E)-1-(tert-butylcarbamoyl)-2-[5-(3-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(E)-3-(tert-butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-{1-tert-Butylcarbamoyl-2-[5-(3-nitro-phenyl)-furan-2-yl]-vinyl}-4-methyl-benzamide::SMR000174152::cid_1604503 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45541&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1604503 252626138 ZINC01826707 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83962 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=C(C)C(=O)C=C1C InChI=1S/C18H19NO6/c1-10-7-14(20)11(2)6-13(10)19-25-18(21)12-8-15(22-3)17(24-5)16(9-12)23-4/h6-9H,1-5H3 ASQNBYMCDOCGTP-UHFFFAOYSA-N 45542 3,4,5-trimethoxybenzoic acid [(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3,4,5-trimethoxybenzoic acid [(4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000587569::SMR000211599::[(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::cid_914880 Coagulation factor XII 4748.843333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45542&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6341008 252626139 ZINC05232144 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83963 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C=C1C InChI=1S/C17H17NO6/c1-10-7-12(19)5-6-13(10)18-24-17(20)11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3 SCOWMESNGFMXFR-UHFFFAOYSA-N 45543 3,4,5-trimethoxybenzoic acid [(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3,4,5-trimethoxybenzoic acid [(4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000587570::SMR000211607::[(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::[(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::cid_747943 Coagulation factor XII 10312.16 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45543&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5598874 252626140 ZINC13113820 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83964 O=C(C[n+]1cc(-c2ccccc2)n2CCCc12)Nc1nc(cs1)-c1ccccc1 InChI=1S/C23H20N4OS/c28-21(25-23-24-19(16-29-23)17-8-3-1-4-9-17)15-26-14-20(18-10-5-2-6-11-18)27-13-7-12-22(26)27/h1-6,8-11,14,16H,7,12-13,15H2/p+1 KPOVWBYKXSITCX-UHFFFAOYSA-O 45544 2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenylthiazol-2-yl)acetamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-2-thiazolyl)acetamide;chloride::3-Phenyl-1-[(4-phenyl-thiazol-2-ylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium::MLS000580310::SMR000220471::cid_12005681 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45544&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1996395 252626141 ZINC17245893 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83965 Cc1ccc(CSc2ncnc3n(ncc23)-c2ccc(C)cc2)cc1 InChI=1S/C20H18N4S/c1-14-3-7-16(8-4-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3 FMOWRWARZPTVDZ-UHFFFAOYSA-N 45545 1-(4-methylphenyl)-4-[(4-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine::1-(4-methylphenyl)-4-[(4-methylphenyl)methylthio]pyrazolo[3,4-d]pyrimidine::4-(4-Methyl-benzylsulfanyl)-1-p-tolyl-1H-pyrazolo[3,4-d]pyrimidine::4-[(4-methylbenzyl)thio]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine::MLS000580246::SMR000220513::cid_1997013 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45545&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1997013 252626142 ZINC02398789 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83966 ClCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12 InChI=1S/C19H20ClN3O2S/c20-7-1-8-22-9-6-13-10-12(2-5-16(13)22)11-15-17(24)21-19(26)23(18(15)25)14-3-4-14/h2,5,10-11,14H,1,3-4,6-9H2,(H,21,24,26)/b15-11+ OZVJFSDUSSGCSJ-RVDMUPIBSA-N 45546 (5E)-5-[[1-(3-chloranylpropyl)-2,3-dihydroindol-5-yl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-5-[[1-(3-chloropropyl)indolin-5-yl]methylene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-quinone::5-[1-[1-(3-Chloro-propyl)-2,3-dihydro-1H-indol-5-yl]-meth-(E)-ylidene]-1-cyclopropyl-2-thioxo-dihydro-pyrimidine-4,6-dione::MLS000580260::SMR000220453::cid_1993471 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45546&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1993471 252626143 ZINC02591392 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83967 CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccccc1)c1ccccc1 InChI=1S/C23H22N4O/c1-17(19-10-5-3-6-11-19)24-26-22-15-9-14-21(16-22)23(28)27-25-18(2)20-12-7-4-8-13-20/h3-17H,1-2H3,(H,27,28) LCLBEJWMNSCKSL-UHFFFAOYSA-N 45547 MLS000402438::N-(1-phenylethylideneamino)-3-[2-(1-phenylethylidene)hydrazinyl]benzamide::N-(1-phenylethylideneamino)-3-[N'-(1-phenylethylidene)hydrazino]benzamide::SMR000263685::cid_3300075 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45547&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91896663 252626144 ZINC13147001 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83968 Fc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 InChI=1S/C17H13F7N2O3/c18-10-1-3-11(4-2-10)25-15(27)26-12-5-13(28-8-16(19,20)21)7-14(6-12)29-9-17(22,23)24/h1-7H,8-9H2,(H2,25,26,27) FHLVPAUKSIYTGV-UHFFFAOYSA-N 45548 1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-(4-fluorophenyl)urea::1-[3,5-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-(4-fluorophenyl)urea::MLS000402433::SMR000262219::cid_3679708 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45548&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3679708 252626145 ZINC08693946 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83969 [O-][N+](=O)c1cccc(NC(=O)COC(=O)\C=C\c2ccco2)c1 InChI=1S/C15H12N2O6/c18-14(16-11-3-1-4-12(9-11)17(20)21)10-23-15(19)7-6-13-5-2-8-22-13/h1-9H,10H2,(H,16,18)/b7-6+ VAZOCERXUAXWJG-VOTSOKGWSA-N 45549 (E)-3-(2-furanyl)-2-propenoic acid [2-(3-nitroanilino)-2-oxoethyl] ester::(E)-3-(2-furyl)acrylic acid [2-keto-2-(3-nitroanilino)ethyl] ester::MLS000390820::SMR000259858::[2-(3-nitroanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate::[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(furan-2-yl)prop-2-enoate::cid_2347806 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45549&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2347806 252626146 ZINC03229709 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83970 Clc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccnc2Cl)n1CC=C InChI=1S/C18H15Cl2N5OS/c1-2-10-25-17(12-5-7-13(19)8-6-12)23-24-18(25)27-11-15(26)22-14-4-3-9-21-16(14)20/h2-9H,1,10-11H2,(H,22,26) DKYXXCBKKAOGBM-UHFFFAOYSA-N 45550 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridyl)acetamide::2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloropyridin-3-yl)acetamide::2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridinyl)acetamide::MLS000335931::N-(2-chloranylpyridin-3-yl)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000253685::cid_2125687 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45550&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2125687 252626147 ZINC02661716 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83971 NC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N InChI=1S/C16H11N3O3/c17-10-12(15(18)20)9-11-4-6-13(7-5-11)22-16(21)14-3-1-2-8-19-14/h1-9H,(H2,18,20)/b12-9+ VPLDARKGWVVURE-FMIVXFBMSA-N 32860 2-pyridinecarboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester::MLS000392319::SMR000261279::[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate::[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-2-carboxylate::cid_2312658::picolinic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Coagulation factor XII 3614.58 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32860&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2312658 252615995 ZINC03176019 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83972 O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1 InChI=1S/C17H17N3O3/c21-16(20-19-11-14-7-3-1-4-8-14)12-18-17(22)13-23-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,18,22)(H,20,21) CCXFSXLVJZMUKL-UHFFFAOYSA-N 45551 2-(2-phenoxyethanoylamino)-N-[(phenylmethylidene)amino]ethanamide::2-[(1-oxo-2-phenoxyethyl)amino]-N-[(phenylmethylene)amino]acetamide::MLS000722342::N-(benzalamino)-2-[(2-phenoxyacetyl)amino]acetamide::N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide::SMR000236011::cid_3520224 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45551&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9624159 252626148 ZINC61924703 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83973 COc1ccccc1CC(=O)NN1C(=O)c2ccccc2C1=O InChI=1S/C17H14N2O4/c1-23-14-9-5-2-6-11(14)10-15(20)18-19-16(21)12-7-3-4-8-13(12)17(19)22/h2-9H,10H2,1H3,(H,18,20) VEAULGRPFRBHNM-UHFFFAOYSA-N 45552 2-(2-methoxyphenyl)-N-phthalimido-acetamide::MLS000681187::N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide::N-(1,3-dioxo-2-isoindolyl)-2-(2-methoxyphenyl)acetamide::N-(1,3-dioxoisoindol-2-yl)-2-(2-methoxyphenyl)acetamide::N-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-methoxyphenyl)ethanamide::SMR000269449::cid_882882 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45552&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 882882 252626149 ZINC00454077 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83974 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=C(C)C(=O)C(C)=C1 InChI=1S/C18H19NO6/c1-10-6-13(7-11(2)16(10)20)19-25-18(21)12-8-14(22-3)17(24-5)15(9-12)23-4/h6-9H,1-5H3 DTVHIFQMJDOHJN-UHFFFAOYSA-N 45553 2,6-dimethylbenzo-1,4-quinone 4-[O-(3,4,5-trimethoxybenzoyl)oxime]::3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3,4,5-trimethoxybenzoic acid [(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000678825::SMR000269882::[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate::cid_747951 Coagulation factor XII 532.863333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45553&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 747951 252626150 ZINC00193536 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83975 CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1 InChI=1S/C20H22N4O3S2/c1-3-19-22-23-20(28-19)21-18(25)13-14-24(16-11-9-15(2)10-12-16)29(26,27)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,21,23,25) HEZCJEAHEREQGI-UHFFFAOYSA-N 33762 3-(N-besyl-4-methyl-anilino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propionamide::3-[N-(benzenesulfonyl)-4-methylanilino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide::MLS000409214::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanamide::SMR000243607::cid_2571426 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33762&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2571426 252616662 ZINC03451181 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83976 O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1 InChI=1S/C14H8O4S/c15-13-6-4-9-3-5-10(8-11(9)18-13)17-14(16)12-2-1-7-19-12/h1-8H PSACGRDUMBMCOY-UHFFFAOYSA-N 32862 (2-oxidanylidenechromen-7-yl) thiophene-2-carboxylate::(2-oxochromen-7-yl) thiophene-2-carboxylate::2-oxo-2H-chromen-7-yl 2-thiophenecarboxylate::2-thiophenecarboxylic acid (2-oxo-1-benzopyran-7-yl) ester::MLS000665158::SMR000270387::cid_1121490::thiophene-2-carboxylic acid (2-ketochromen-7-yl) ester Coagulation factor XII 7796.453333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32862&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1121490 252615997 ZINC00859108 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83977 COc1ccccc1OCC(=O)NNC(=O)c1cccs1 InChI=1S/C14H14N2O4S/c1-19-10-5-2-3-6-11(10)20-9-13(17)15-16-14(18)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18) IMYKQWRCRSFFBU-UHFFFAOYSA-N 23728 2-(2-methoxyphenoxy)-N'-(thiophen-2-ylcarbonyl)acetohydrazide::N -[2-(2-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide::cid_730175::thiophene-2-carbohydrazide, 12 Coagulation factor XII 4696.733333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 730175 50091988 ZINC00142648 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83978 COc1cccc(NC(C(=O)Nc2cccc(c2)C(C)=O)c2ccccc2)c1 InChI=1S/C23H22N2O3/c1-16(26)18-10-6-11-19(14-18)25-23(27)22(17-8-4-3-5-9-17)24-20-12-7-13-21(15-20)28-2/h3-15,22,24H,1-2H3,(H,25,27) FDBSXCIQRBGVFP-UHFFFAOYSA-N 45554 MLS000335761::N-(3-acetylphenyl)-2-(3-methoxyanilino)-2-phenylacetamide::N-(3-acetylphenyl)-2-(m-anisidino)-2-phenyl-acetamide::N-(3-ethanoylphenyl)-2-[(3-methoxyphenyl)amino]-2-phenyl-ethanamide::SMR000253515::cid_4880588 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45554&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4880588 252626151 ZINC03347708 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83979 COc1ccc(C2=[N+](C)CCn3cccc23)c(OC)c1 InChI=1S/C16H19N2O2/c1-17-9-10-18-8-4-5-14(18)16(17)13-7-6-12(19-2)11-15(13)20-3/h4-8,11H,9-10H2,1-3H3/q+1 OJONFUYEVNZGMS-UHFFFAOYSA-N 45555 1-(2,4-dimethoxyphenyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium;iodide::MLS000705896::SMR000230211::cid_15945026 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45555&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 852097 252626152 ZINC00387020 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83980 Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12 InChI=1S/C22H25FN2O3S/c23-19-9-3-4-11-21(19)29(27,28)25-14-12-17(13-15-25)22(26)24-20-10-5-7-16-6-1-2-8-18(16)20/h1-4,6,8-9,11,17,20H,5,7,10,12-15H2,(H,24,26) TYBDRNAYLXTZMN-UHFFFAOYSA-N 45556 1-(2-fluorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-piperidinecarboxamide::1-(2-fluorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide::1-(2-fluorophenyl)sulfonyl-N-tetralin-1-yl-isonipecotamide::MLS000409236::SMR000243629::cid_4877735 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45556&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4877735 252626153 ZINC03324597 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83981 COc1ccc(cc1)[C@H]1C[C@@]11N=C(OC1=O)c1ccccc1 InChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1 NFJWLBFNZOFFPU-CRAIPNDOSA-N 50288104 (1R,3R)-1-(4-Methoxy-phenyl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one::CHEMBL82996::cid_4189325 Coagulation factor XII 3327.526667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50288104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50288104&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 832360 104129675 CHEMBL82996 ZINC00356600 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83982 COC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N InChI=1S/C17H12N2O4/c1-22-16(20)13(11-18)10-12-5-7-14(8-6-12)23-17(21)15-4-2-3-9-19-15/h2-10H,1H3/b13-10+ INJPSDSANLQOJT-JLHYYAGUSA-N 45557 2-pyridinecarboxylic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester::MLS000375018::SMR000254371::[4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-2-carboxylate::[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate::cid_2312307::picolinic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Coagulation factor XII 5227.42 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45557&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2312307 252626154 ZINC03175267 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83983 CCN(CC)c1ccc([CH+][N-]NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1 InChI=1S/C17H20N4O4S/c1-3-20(4-2)15-10-8-14(9-11-15)13-18-19-26(24,25)17-7-5-6-16(12-17)21(22)23/h5-13,19H,3-4H2,1-2H3 VXXSSODKNLNCPH-UHFFFAOYSA-N 45558 MLS000395036::N-[[4-(diethylamino)benzylidene]amino]-3-nitro-benzenesulfonamide::N-[[4-(diethylamino)phenyl]methylideneamino]-3-nitro-benzenesulfonamide::N-[[4-(diethylamino)phenyl]methylideneamino]-3-nitrobenzenesulfonamide::SMR000248429::cid_3399533 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45558&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9667314 252626155 ZINC33530341 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83984 Fc1ccc(NC(=O)Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1 InChI=1S/C23H18FN3O/c24-18-11-13-19(14-12-18)25-23(28)16-27-21-9-5-4-8-20(21)26-22(27)15-10-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,28)/b15-10+ HJOPLGGNGKLDRP-XNTDXEJSSA-N 45559 MLS000392715::N-(4-fluorophenyl)-2-[2-[(E)-2-phenylethenyl]-1-benzimidazolyl]acetamide::N-(4-fluorophenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide::N-(4-fluorophenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanamide::N-(4-fluorophenyl)-2-[2-[(E)-styryl]benzimidazol-1-yl]acetamide::SMR000261638::cid_6156105 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45559&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6156105 252626156 ZINC04865293 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83985 C(Nc1ncnc2scc(-c3ccccc3)c12)C1COc2ccccc2O1 InChI=1S/C21H17N3O2S/c1-2-6-14(7-3-1)16-12-27-21-19(16)20(23-13-24-21)22-10-15-11-25-17-8-4-5-9-18(17)26-15/h1-9,12-13,15H,10-11H2,(H,22,23,24) MPKXYNWKQLMDJS-UHFFFAOYSA-N 45560 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amine::MLS000388632::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine::SMR000254805::cid_5115067 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45560&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5115067 252626157 ZINC03348926 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83986 Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1 InChI=1S/C21H19FN4OS/c22-17-8-10-18(11-9-17)27-12-13-28-21-25-24-20(26(21)23)14-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14,23H2 RCBSDKHPNVVQHC-UHFFFAOYSA-N 45561 3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::3-[2-(4-fluorophenoxy)ethylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine::MLS000388559::SMR000254732::[3-[2-(4-fluorophenoxy)ethylthio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine::cid_2457362 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45561&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2457362 252626158 ZINC03340936 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83987 COc1ccc(cc1OC)-c1cc(-c2nnc(COC(=O)CC3CC4CCC3C4)o2)c2ccccc2n1 InChI=1S/C29H29N3O5/c1-34-25-10-9-19(13-26(25)35-2)24-15-22(21-5-3-4-6-23(21)30-24)29-32-31-27(37-29)16-36-28(33)14-20-12-17-7-8-18(20)11-17/h3-6,9-10,13,15,17-18,20H,7-8,11-12,14,16H2,1-2H3 KQTYYQBJGBDVQQ-UHFFFAOYSA-N 45562 2-(2-norbornyl)acetic acid [5-[2-(3,4-dimethoxyphenyl)-4-quinolyl]-1,3,4-oxadiazol-2-yl]methyl ester::2-(3-bicyclo[2.2.1]heptanyl)acetic acid [5-[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl]methyl ester::MLS000333957::SMR000248715::[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-(3-bicyclo[2.2.1]heptanyl)acetate::[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-(3-bicyclo[2.2.1]heptanyl)ethanoate::cid_3938083 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45562&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3938083 252626159 ZINC08684918 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83988 Nc1ccnn1Cc1cccs1 InChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2 KFEVMOCBDLBBKX-UHFFFAOYSA-N 45563 2-(thiophen-2-ylmethyl)-3-pyrazolamine::2-(thiophen-2-ylmethyl)pyrazol-3-amine::MLS000388828::SMR000255001::[2-(2-thenyl)pyrazol-3-yl]amine::cid_2517659 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45563&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2517659 252626160 ZINC03399149 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83989 Clc1ccc(s1)C(=O)COC(=O)c1ccc2ccccc2n1 InChI=1S/C16H10ClNO3S/c17-15-8-7-14(22-15)13(19)9-21-16(20)12-6-5-10-3-1-2-4-11(10)18-12/h1-8H,9H2 NAPVNPJPRRIBFO-UHFFFAOYSA-N 45564 2-quinolinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester::MLS000389350::SMR000255623::[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate::[2-(5-chlorothiophen-2-yl)-2-oxoethyl] quinoline-2-carboxylate::cid_2430272::quinaldic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45564&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2430272 252626161 ZINC03314520 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83990 Clc1ccc(cn1)C(=O)OCC(=O)N1CCCc2ccccc12 InChI=1S/C17H15ClN2O3/c18-15-8-7-13(10-19-15)17(22)23-11-16(21)20-9-3-5-12-4-1-2-6-14(12)20/h1-2,4,6-8,10H,3,5,9,11H2 WISNRRLEHMNMAI-UHFFFAOYSA-N 45565 6-chloro-3-pyridinecarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester::6-chloronicotinic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester::MLS000389357::SMR000255630::[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate::[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate::cid_2430446 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45565&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2430446 252626162 ZINC03314701 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83991 Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1 InChI=1S/C21H21NOS/c1-16-13-15-24-20(16)21(23)22-14-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,19H,12,14H2,1H3,(H,22,23) MCIHVKKJUYXUEM-UHFFFAOYSA-N 45566 MLS000334481::N-(3,3-diphenylpropyl)-3-methyl-2-thiophenecarboxamide::N-(3,3-diphenylpropyl)-3-methyl-thiophene-2-carboxamide::N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide::SMR000249239::cid_2530538 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45566&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2530538 252626163 ZINC03411582 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83992 CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1 InChI=1S/C17H16ClN5OS/c1-2-23-16(12-7-4-3-5-8-12)21-22-17(23)25-11-14(24)20-13-9-6-10-19-15(13)18/h3-10H,2,11H2,1H3,(H,20,24) GBPLLRCHQOCRHT-UHFFFAOYSA-N 45567 MLS000388936::N-(2-chloranylpyridin-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::N-(2-chloro-3-pyridinyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide::N-(2-chloro-3-pyridyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide::N-(2-chloropyridin-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide::SMR000255110::cid_2618297 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45567&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2618297 252626164 ZINC03501316 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83993 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1Cl InChI=1S/C16H13ClN4O2/c1-23-11-8-6-10(7-9-11)14-19-16(18)21(20-14)15(22)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19,20) QTWBBGDOWWLJBD-UHFFFAOYSA-N 45568 1-(2-chlorobenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylamine::MLS000700369::SMR000225206::[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::cid_753286 Coagulation factor XII 8106.446667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45568&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753286 252626165 ZINC00205357 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83994 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccc(C)cc1 InChI=1S/C17H16N4O2/c1-11-3-5-13(6-4-11)16(22)21-17(18)19-15(20-21)12-7-9-14(23-2)10-8-12/h3-10H,1-2H3,(H2,18,19,20) JZSJTYKKZURFRW-UHFFFAOYSA-N 45569 3-(4-methoxyphenyl)-1-(4-methylbenzoyl)-1H-1,2,4-triazol-5-ylamine::MLS000700367::SMR000225204::[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_753282 Coagulation factor XII 8898.36 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45569&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753282 252626166 ZINC00205350 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83995 O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1 InChI=1S/C15H10N2O3/c18-14-10-13(16-12-8-4-5-9-17(12)14)20-15(19)11-6-2-1-3-7-11/h1-10H PEBIBWVFVFOZCA-UHFFFAOYSA-N 45570 (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl) benzoate::(4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate::4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl benzoate::MLS000701914::SMR000224668::benzoic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl) ester::benzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl) ester::cid_824989 Coagulation factor XII 1687.593333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45570&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 824989 252626167 ZINC00343954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83996 CCCC(=O)NNC(=O)c1ccoc1C InChI=1S/C10H14N2O3/c1-3-4-9(13)11-12-10(14)8-5-6-15-7(8)2/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14) BUMXVZGNLUKIQJ-UHFFFAOYSA-N 45571 2-methyl-N'-(1-oxobutyl)-3-furancarbohydrazide::MLS000701394::N'-butyryl-2-methyl-3-furohydrazide::N'-butanoyl-2-methyl-furan-3-carbohydrazide::N'-butanoyl-2-methylfuran-3-carbohydrazide::N'-butyryl-2-methyl-3-furohydrazide::SMR000228725::cid_1789244 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45571&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1789244 252626168 ZINC02134205 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83997 Brc1ccc(C=NNC(=O)CCC(=O)NCc2ccccc2)s1 InChI=1S/C16H16BrN3O2S/c17-14-7-6-13(23-14)11-19-20-16(22)9-8-15(21)18-10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,18,21)(H,20,22) GOZVPOAXFAHKPG-UHFFFAOYSA-N 45572 MLS000701404::N'-[(5-bromanylthiophen-2-yl)methylideneamino]-N-(phenylmethyl)butanediamide::N'-[(5-bromo-2-thiophenyl)methylideneamino]-N-(phenylmethyl)butanediamide::N-benzyl-4-{2-[(5-bromothien-2-yl)methylene]hydrazino}-4-oxobutanamide::N-benzyl-N'-[(5-bromo-2-thienyl)methyleneamino]succinamide::N-benzyl-N'-[(5-bromothiophen-2-yl)methylideneamino]butanediamide::SMR000228704::cid_3813249 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45572&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9637202 252626169 ZINC13142227 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83998 Cc1c(C)c2ccccc2n1CCC#N InChI=1S/C13H14N2/c1-10-11(2)15(9-5-8-14)13-7-4-3-6-12(10)13/h3-4,6-7H,5,9H2,1-2H3 IUOGDYFHVOLNEQ-UHFFFAOYSA-N 45573 3-(2,3-dimethyl-1-indolyl)propanenitrile::3-(2,3-dimethyl-1H-indol-1-yl)propanenitrile::3-(2,3-dimethylindol-1-yl)propanenitrile::3-(2,3-dimethylindol-1-yl)propionitrile::MLS000700103::SMR000224753::cid_4175802 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45573&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4175802 252626170 ZINC04115572 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 83999 Cc1ccc([CH+][N-]NC(=S)NCC=C)cc1[N+]([O-])=O InChI=1S/C12H14N4O2S/c1-3-6-13-12(19)15-14-8-10-5-4-9(2)11(7-10)16(17)18/h3-5,7-8H,1,6H2,2H3,(H2,13,15,19) WCVAWUUACBCEBY-UHFFFAOYSA-N 32866 1-[(4-methyl-3-nitro-phenyl)methylideneamino]-3-prop-2-enyl-thiourea::1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-prop-2-enylthiourea::1-allyl-3-[(4-methyl-3-nitro-benzylidene)amino]thiourea::3-nitro-4-methylbenzaldehyde N-prop-2-enylthiosemicarbazone::MLS000703798::SMR000228955::cid_3340196 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32866&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9665046 252616001 ZINC33445699 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84000 CCOC(=O)c1cn(Cc2ccccc2)nn1 InChI=1S/C12H13N3O2/c1-2-17-12(16)11-9-15(14-13-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3 CATUHLOREXQBLO-UHFFFAOYSA-N 45574 1-(phenylmethyl)-4-triazolecarboxylic acid ethyl ester::1-benzyltriazole-4-carboxylic acid ethyl ester::MLS000699087::SMR000229779::cid_849722::ethyl 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate::ethyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate::ethyl 1-benzyltriazole-4-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45574&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 849722 252626171 ZINC00384277 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84001 CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc12 InChI=1S/C16H21NO2/c1-5-19-15(18)11(2)14-13-9-7-6-8-12(13)10-16(3,4)17-14/h6-9,11H,5,10H2,1-4H3 XCVWSOMTPIRYPM-UHFFFAOYSA-N 34825 (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanoic acid ethyl ester;hydroiodide::(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propionic acid ethyl ester;hydroiodide::MLS000699788::SMR000226070::cid_15945775::ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanoate;hydroiodide::ethyl 2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)propanoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=34825&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3271012 252617471 ZINC08684189 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84002 CC1CC(CC(C)(C)C1)NC(=O)C1C2CCC(O2)C1C(O)=O InChI=1S/C17H27NO4/c1-9-6-10(8-17(2,3)7-9)18-15(19)13-11-4-5-12(22-11)14(13)16(20)21/h9-14H,4-8H2,1-3H3,(H,18,19)(H,20,21) GDYZQHMAUYZCAF-UHFFFAOYSA-N 45575 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid::2-[oxo-[(3,3,5-trimethylcyclohexyl)amino]methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid::3-{[(3,3,5-trimethylcyclohexyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid::MLS000700927::SMR000231210::cid_4083369 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45575&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4083369 252626172 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84003 CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N InChI=1S/C13H13N3O3/c1-2-19-13(18)10-8-15-16(11(10)14)12(17)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3 ZAQAZPZIVUVMRV-UHFFFAOYSA-N 45576 5-amino-1-benzoyl-4-pyrazolecarboxylic acid ethyl ester::5-amino-1-benzoyl-pyrazole-4-carboxylic acid ethyl ester::MLS000677157::SMR000270978::cid_801218::ethyl 5-amino-1-benzoyl-1H-pyrazole-4-carboxylate::ethyl 5-amino-1-benzoylpyrazole-4-carboxylate::ethyl 5-azanyl-1-(phenylcarbonyl)pyrazole-4-carboxylate Coagulation factor XII 6275.133333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45576&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 801218 252626173 ZINC00308376 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84004 CCN1CCN(CC1)C(=O)\C=C\c1c(F)cccc1Cl InChI=1S/C15H18ClFN2O/c1-2-18-8-10-19(11-9-18)15(20)7-6-12-13(16)4-3-5-14(12)17/h3-7H,2,8-11H2,1H3/b7-6+ WFODIYJKQCZWFD-VOTSOKGWSA-N 45577 (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one::(E)-3-(2-chloro-6-fluoro-phenyl)-1-(4-ethylpiperazino)prop-2-en-1-one::(E)-3-(2-chloro-6-fluorophenyl)-1-(4-ethyl-1-piperazinyl)-2-propen-1-one::(E)-3-(2-chloro-6-fluorophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one::1-[3-(2-chloro-6-fluorophenyl)acryloyl]-4-ethylpiperazine::MLS000683815::SMR000272420::cid_898924 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45577&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 898924 252626174 ZINC13110563 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84005 CN(C)C(=O)c1sc(NC(=O)c2ccc(c(C)c2)[N+]([O-])=O)nc1C InChI=1S/C15H16N4O4S/c1-8-7-10(5-6-11(8)19(22)23)13(20)17-15-16-9(2)12(24-15)14(21)18(3)4/h5-7H,1-4H3,(H,16,17,20) CXWNPMAAFYADMS-UHFFFAOYSA-N 33781 MLS000680759::N,N,4-trimethyl-2-[(3-methyl-4-nitro-benzoyl)amino]thiazole-5-carboxamide::N,N,4-trimethyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1,3-thiazole-5-carboxamide::N,N,4-trimethyl-2-[(3-methyl-4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide::N,N,4-trimethyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-5-thiazolecarboxamide::SMR000272478::cid_2168190 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33781&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2168190 252616681 ZINC02764696 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84006 COc1cc2nc(COc3ccccc3[N+]([O-])=O)oc(=O)c2cc1OC InChI=1S/C17H14N2O7/c1-23-14-7-10-11(8-15(14)24-2)18-16(26-17(10)20)9-25-13-6-4-3-5-12(13)19(21)22/h3-8H,9H2,1-2H3 BJSCEFMPZLTJAD-UHFFFAOYSA-N 45578 6,7-dimethoxy-2-[(2-nitrophenoxy)methyl]-3,1-benzoxazin-4-one::6,7-dimethoxy-2-[(2-nitrophenoxy)methyl]-4H-3,1-benzoxazin-4-one::MLS000663920::SMR000270540::cid_1312679 Coagulation factor XII 3730.176667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45578&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1312679 252626175 ZINC01139717 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84007 COc1ccc(N2CCCn3c2nc2n(C)c(=O)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1 InChI=1S/C25H27N5O4/c1-16-6-8-17(9-7-16)15-30-23(31)21-22(27(2)25(30)32)26-24-28(12-5-13-29(21)24)19-11-10-18(33-3)14-20(19)34-4/h6-11,14H,5,12-13,15H2,1-4H3 FXEKJHUHKXCQIA-UHFFFAOYSA-N 45579 9-(2,4-dimethoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone::9-(2,4-dimethoxyphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione::MLS000685291::SMR000324048::cid_4907452 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45579&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4907452 252626176 ZINC09519205 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84008 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccc(C)cc1 InChI=1S/C19H21N5OS/c1-4-24-13(3)20-16-11-14(7-10-17(16)24)18(25)22-23-19(26)21-15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,26) KLMWVZZMXRKVEB-UHFFFAOYSA-N 33783 1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-(4-methylphenyl)thiourea::1-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-(p-tolyl)thiourea::1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(4-methylphenyl)thiourea::1-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea::MLS000402364::SMR000262222::cid_2328617 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33783&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2328617 252616683 ZINC13878626 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84009 NC1=NC(=NNc2nc(cs2)-c2ccc(Cl)cc2)c2ccccc12 InChI=1S/C17H12ClN5S/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)23-22-16-13-4-2-1-3-12(13)15(19)21-16/h1-9H,(H,20,23)(H2,19,21,22) OLVORKOOPWSYGY-UHFFFAOYSA-N 32872 MLS000391277::N-[(Z)-(3-amino-1-isoindolylidene)amino]-4-(4-chlorophenyl)-2-thiazolamine::N-[(Z)-(3-aminoisoindol-1-ylidene)amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine::N-[(Z)-(3-azanylisoindol-1-ylidene)amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine::SMR000260314::[(Z)-(3-aminoisoindol-1-ylidene)amino]-[4-(4-chlorophenyl)thiazol-2-yl]amine::cid_6160946 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32872&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6160946 252616007 ZINC08927382 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84010 COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CCCC(O)=O InChI=1S/C30H28N4O4/c1-38-24-17-15-21(16-18-24)26-19-27(34(31-26)28(35)13-8-14-29(36)37)25-20-33(23-11-6-3-7-12-23)32-30(25)22-9-4-2-5-10-22/h2-7,9-12,15-18,20,27H,8,13-14,19H2,1H3,(H,36,37) RRVDRGGMJTTZLJ-UHFFFAOYSA-N 45580 5-[3-(1,3-diphenyl-4-pyrazolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid::5-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid::5-[3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid::5-[5-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid::MLS000714156::SMR000274136::cid_3132761 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45580&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3132761 252626177 ZINC00710133 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84011 CN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1 InChI=1S/C17H23FN6O/c1-22-8-10-23(11-9-22)7-6-19-17(25)16-13-24(21-20-16)12-14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3,(H,19,25) GJGUZYTWFPTYFT-UHFFFAOYSA-N 45581 1-(2-fluorobenzyl)-N-[2-(4-methylpiperazino)ethyl]triazole-4-carboxamide::1-[(2-fluorophenyl)methyl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-triazolecarboxamide::1-[(2-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3-triazole-4-carboxamide::1-[(2-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide::MLS000708653::SMR000289220::cid_3231040 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45581&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3231040 252626178 ZINC22586587 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84012 Cc1cc(C)c(C#N)c(SCc2ccc(cc2)[N+]([O-])=O)n1 InChI=1S/C15H13N3O2S/c1-10-7-11(2)17-15(14(10)8-16)21-9-12-3-5-13(6-4-12)18(19)20/h3-7H,9H2,1-2H3 DUEAGAZSJQWTKX-UHFFFAOYSA-N 45582 4,6-dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile::4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile::4,6-dimethyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile::MLS000687560::SMR000283343::cid_736358 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45582&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 736358 252626179 ZINC00157428 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84013 Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc23)cc1 InChI=1S/C29H26N6O2S/c1-19-7-11-21(12-8-19)17-35-18-23(24-5-3-4-6-25(24)35)16-30-32-26(36)15-27-33-34-29(38-27)31-28(37)22-13-9-20(2)10-14-22/h3-14,16,18H,15,17H2,1-2H3,(H,32,36)(H,31,34,37) FCFIMGYJKSFKSJ-UHFFFAOYSA-N 45583 4-Methyl-N-{5-[1-[1-(4-methyl-benzyl)-1H-indol-3-yl]-meth-(E)-ylidene-hydrazinocarbonylmethyl]-[1,3,4]thiadiazol-2-yl}-benzamide::4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]-3-indolyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide::4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-1,3,4-thiadiazol-2-yl]benzamide::4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide::MLS000591006::N-[5-[2-keto-2-[N'-[[1-(4-methylbenzyl)indol-3-yl]methylene]hydrazino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide::SMR000217743::cid_1617457 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45583&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6868097 252626180 ZINC16945821 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84014 CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 InChI=1S/C17H15N5OS2/c1-8-4-5-13-11(6-8)10(9(2)19-13)7-12-14(18)22-16(20-15(12)23)25-21-17(22)24-3/h4-7H,18H2,1-3H3/b10-7+ GIHBZAMJFMGKFQ-JXMROGBWSA-N 45584 (6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-imino-3-(methylthio)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethyl-3-indolylidene)methyl]-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-azanyl-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::MLS000729912::SMR000308189::cid_16187613 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45584&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16187613 252626181 ZINC15962428 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84015 COc1cc(cc(Cl)c1OC)C(N)=O InChI=1S/C9H10ClNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12) GUIKIHAKNSUDTK-UHFFFAOYSA-N 45585 3-chloranyl-4,5-dimethoxy-benzamide::3-chloro-4,5-dimethoxy-benzamide::3-chloro-4,5-dimethoxybenzamide::MLS000675458::SMR000295260::cid_900807 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45585&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 900807 252626182 ZINC00479869 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84016 CSc1ccccc1C(=O)C1CCCN(C1)S(=O)(=O)N(C)C InChI=1S/C15H22N2O3S2/c1-16(2)22(19,20)17-10-6-7-12(11-17)15(18)13-8-4-5-9-14(13)21-3/h4-5,8-9,12H,6-7,10-11H2,1-3H3 XUCDINNPUXYIMG-UHFFFAOYSA-N 45586 MLS000862703::N,N-dimethyl-3-(2-methylsulfanylbenzoyl)piperidine-1-sulfonamide::N,N-dimethyl-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-sulfonamide::N,N-dimethyl-3-[2-(methylthio)benzoyl]piperidine-1-sulfonamide::N,N-dimethyl-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinesulfonamide::SMR000319712::cid_16187920 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45586&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16187920 252626183 ZINC11878897 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84017 Cc1cccc(c1)C(=O)n1cnnc1N InChI=1S/C10H10N4O/c1-7-3-2-4-8(5-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13) GPQLYNCGPNLCSU-UHFFFAOYSA-N 45587 (3-amino-1,2,4-triazol-4-yl)-(3-methylphenyl)methanone::(3-amino-1,2,4-triazol-4-yl)-(m-tolyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3-methylphenyl)methanone::4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000662365::SMR000292886::cid_894972 Coagulation factor XII 500.436667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45587&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 894972 252626184 ZINC00471829 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84018 COc1ccc(cc1O)C1N(CCN1c1ccccc1)c1ccccc1 InChI=1S/C22H22N2O2/c1-26-21-13-12-17(16-20(21)25)22-23(18-8-4-2-5-9-18)14-15-24(22)19-10-6-3-7-11-19/h2-13,16,22,25H,14-15H2,1H3 AARKQWCTGNOAHP-UHFFFAOYSA-N 45588 5-(1,3-diphenyl-2-imidazolidinyl)-2-methoxyphenol::5-(1,3-diphenylimidazolidin-2-yl)-2-methoxy-phenol::5-(1,3-diphenylimidazolidin-2-yl)-2-methoxyphenol::MLS000703616::SMR000273981::cid_749779 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45588&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 749779 252626185 ZINC00197417 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84019 Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 InChI=1S/C17H13FN4O3S3/c18-14-4-2-1-3-13(14)15(23)21-16(26)20-11-5-7-12(8-6-11)28(24,25)22-17-19-9-10-27-17/h1-10H,(H,19,22)(H2,20,21,23,26) QNYMIRAKEOPQPG-UHFFFAOYSA-N 45589 2-fluoranyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide::2-fluoro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide::2-fluoro-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide::2-fluoro-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide::4-[3-(2-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide::MLS000592116::SMR000218327::cid_1981249 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45589&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1981249 252626186 ZINC02370693 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84020 CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O InChI=1S/C18H25N3O2/c1-2-3-4-5-6-7-8-13-17(22)20-21-14-19-16-12-10-9-11-15(16)18(21)23/h9-12,14H,2-8,13H2,1H3,(H,20,22) NVGHPDANMAKXKD-UHFFFAOYSA-N 45590 MLS000688476::N-(4-ketoquinazolin-3-yl)capramide::N-(4-oxidanylidenequinazolin-3-yl)decanamide::N-(4-oxo-3-quinazolinyl)decanamide::N-(4-oxoquinazolin-3-yl)decanamide::SMR000284444::cid_1649169 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45590&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1649169 252626187 ZINC01921462 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84021 COC(=O)c1ccc(NC(=S)Nc2ccc(O)cc2)cc1 InChI=1S/C15H14N2O3S/c1-20-14(19)10-2-4-11(5-3-10)16-15(21)17-12-6-8-13(18)9-7-12/h2-9,18H,1H3,(H2,16,17,21) GHAGEDPJJVVFKL-UHFFFAOYSA-N 45591 4-[(4-hydroxyphenyl)thiocarbamoylamino]benzoic acid methyl ester::4-[[(4-hydroxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester::MLS000693352::SMR000299896::cid_726319::methyl 4-({[(4-hydroxyphenyl)amino]carbonothioyl}amino)benzoate::methyl 4-[(4-hydroxyphenyl)carbamothioylamino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45591&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 726319 252626188 ZINC13545127 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84022 COc1ccc(cc1OC)C1N(CCc2cc(OC)c(OC)cc12)S(C)(=O)=O InChI=1S/C20H25NO6S/c1-24-16-7-6-14(11-17(16)25-2)20-15-12-19(27-4)18(26-3)10-13(15)8-9-21(20)28(5,22)23/h6-7,10-12,20H,8-9H2,1-5H3 RIIYMTKJORVDNL-UHFFFAOYSA-N 45592 1-(3,4-dimethoxyphenyl)-2-mesyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline::1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline::1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline::MLS000862297::SMR000300730::cid_2969665 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45592&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2969665 252626189 ZINC02872273 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84023 COc1cccc(NC(=O)Nc2cccnc2)c1 InChI=1S/C13H13N3O2/c1-18-12-6-2-4-10(8-12)15-13(17)16-11-5-3-7-14-9-11/h2-9H,1H3,(H2,15,16,17) GKIAWSXZHIOODH-UHFFFAOYSA-N 45593 1-(3-methoxyphenyl)-3-(3-pyridinyl)urea::1-(3-methoxyphenyl)-3-(3-pyridyl)urea::1-(3-methoxyphenyl)-3-pyridin-3-yl-urea::1-(3-methoxyphenyl)-3-pyridin-3-ylurea::MLS000675605::N-(3-methoxyphenyl)-N'-3-pyridinylurea::SMR000294358::cid_1297960 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45593&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1297960 252626190 ZINC01121283 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84024 COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1 InChI=1S/C15H13N3O3S/c1-20-11-7-4-3-6-10(11)14(19)18-15(22-2)16-13(17-18)12-8-5-9-21-12/h3-9H,1-2H3 FLJAMCIHLYTQCT-UHFFFAOYSA-N 32881 MLS000706208::SMR000288260::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_977140 Coagulation factor XII 159.06 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32881&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 977140 252616015 ZINC00619673 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84025 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCNc1ccccc1[N+]([O-])=O InChI=1S/C16H18N4O5S/c1-12(21)19-13-6-8-14(9-7-13)26(24,25)18-11-10-17-15-4-2-3-5-16(15)20(22)23/h2-9,17-18H,10-11H2,1H3,(H,19,21) RZVYXNHHSWTJSC-UHFFFAOYSA-N 45594 MLS000693419::N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide::N-[4-[2-[(2-nitrophenyl)amino]ethylsulfamoyl]phenyl]ethanamide::N-{4-[({2-[(2-nitrophenyl)amino]ethyl}amino)sulfonyl]phenyl}acetamide::SMR000299951::cid_2952108 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45594&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2952108 252626191 ZINC04703725 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84026 COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)C(O)=O InChI=1S/C21H18N2O4S/c1-12-7-8-15(20(25)26)10-17(12)22-21(28)23-19(24)16-9-13-5-3-4-6-14(13)11-18(16)27-2/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,28) CEXXBODPZONRKG-UHFFFAOYSA-N 45595 3-({[(3-methoxy-2-naphthoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid::3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-methyl-benzoic acid::3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]-4-methyl-benzoic acid::3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-methylbenzoic acid::3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid::MLS000690670::SMR000298924::cid_1870190 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45595&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1870190 252626192 ZINC02239368 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84027 COc1ccc(cc1)C(=O)ON=C1C=C(C)C(=O)C(C)=C1 InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3 XPJOSLKXXOAVEN-UHFFFAOYSA-N 50314728 4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa-2,5-dienone::CHEMBL1092816::cid_710899 Coagulation factor XII 573.893333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 710899 104149089 CHEMBL1092816 ZINC00102112 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84028 Fc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 InChI=1S/C11H7Cl2FN2O/c12-9-5-15-16(11(17)10(9)13)6-7-1-3-8(14)4-2-7/h1-5H,6H2 LLNJUQCJFCJEPC-UHFFFAOYSA-N 45596 4,5-bis(chloranyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one::4,5-dichloro-2-(4-fluorobenzyl)pyridazin-3-one::4,5-dichloro-2-[(4-fluorophenyl)methyl]-3-pyridazinone::4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one::MLS000708792::SMR000289359::cid_675202 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45596&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 675202 252626193 ZINC00037958 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84029 COc1ccc(cc1)C(=O)NN=Cc1cc2ccccc2[nH]c1=O InChI=1S/C18H15N3O3/c1-24-15-8-6-12(7-9-15)18(23)21-19-11-14-10-13-4-2-3-5-16(13)20-17(14)22/h2-11H,1H3,(H,20,22)(H,21,23) JDYREAOIIJFTHD-UHFFFAOYSA-N 32888 4-methoxy-N'-[(E)-(2-oxidanylidenequinolin-3-ylidene)methyl]benzohydrazide::4-methoxy-N'-[(E)-(2-oxo-3-quinolinylidene)methyl]benzohydrazide::4-methoxy-N'-[(E)-(2-oxoquinolin-3-ylidene)methyl]benzohydrazide::MLS000715421::N'-[(E)-(2-keto-3-quinolylidene)methyl]-4-methoxy-benzohydrazide::SMR000275400::cid_5403619 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32888&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5403619 252616022 ZINC13126698 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84030 Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1[N+]([O-])=O InChI=1S/C16H18N4O3/c1-11-16(20(22)23)12(2)19(17-11)10-15(21)18-8-7-13-5-3-4-6-14(13)9-18/h3-6H,7-10H2,1-2H3 OYTZRLUOXFFKPF-UHFFFAOYSA-N 45597 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone::MLS000712417::SMR000282184::cid_2162320 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45597&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2162320 252626194 ZINC02729515 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84031 Fc1cc(F)c2nc(sc2c1)N1CCCC1 InChI=1S/C11H10F2N2S/c12-7-5-8(13)10-9(6-7)16-11(14-10)15-3-1-2-4-15/h5-6H,1-4H2 GLMSPRQFIUTZAB-UHFFFAOYSA-N 45598 4,6-bis(fluoranyl)-2-pyrrolidin-1-yl-1,3-benzothiazole::4,6-difluoro-2-(1-pyrrolidinyl)-1,3-benzothiazole::4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole::4,6-difluoro-2-pyrrolidino-1,3-benzothiazole::MLS000684732::SMR000323246::cid_7110153 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45598&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7110153 252626195 ZINC04137900 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84032 FC(F)(F)c1cc(nc(SCC(=O)NCCN2CCOCC2)n1)-c1ccco1 InChI=1S/C17H19F3N4O3S/c18-17(19,20)14-10-12(13-2-1-7-27-13)22-16(23-14)28-11-15(25)21-3-4-24-5-8-26-9-6-24/h1-2,7,10H,3-6,8-9,11H2,(H,21,25) LMVPBWNAAHMCDP-UHFFFAOYSA-N 45599 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide::2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide::2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide::2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide::MLS000686929::SMR000284481::cid_1152592 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45599&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1152592 252626196 ZINC19342466 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84033 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)S(=O)(=O)c1ccccc1 InChI=1S/C22H20N2O3S/c1-16-11-13-17(14-12-16)20-15-21(19-9-5-6-10-22(19)25)24(23-20)28(26,27)18-7-3-2-4-8-18/h2-14,21,25H,15H2,1H3 DZQVVFKRTCZLEB-UHFFFAOYSA-N 43257 2-[2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]phenol::2-[2-besyl-5-(p-tolyl)-2-pyrazolin-3-yl]phenol::2-[5-(4-methylphenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazol-3-yl]phenol::MLS000680056::SMR000324678::cid_16189591 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=43257&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16189591 252623938 ZINC04248185 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84034 Nc1nnc(SCn2nnc3ccccc3c2=O)[nH]1 InChI=1S/C10H9N7OS/c11-9-12-10(15-14-9)19-5-17-8(18)6-3-1-2-4-7(6)13-16-17/h1-4H,5H2,(H3,11,12,14,15) YQAKUPFQWPAJMA-UHFFFAOYSA-N 45600 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one::MLS000335644::SMR000253398::cid_2121353 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45600&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2121353 252626197 ZINC12732886 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84035 COc1ccc(Nc2nnc(SC(C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cc1 InChI=1S/C25H24N4O2S2/c1-16-9-10-17(2)21(15-16)27-23(30)22(18-7-5-4-6-8-18)32-25-29-28-24(33-25)26-19-11-13-20(31-3)14-12-19/h4-15,22H,1-3H3,(H,26,28)(H,27,30) RZRJNQVOICXSBN-UHFFFAOYSA-N 45601 MLS000408953::N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide::N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-2-phenylacetamide::N-(2,5-dimethylphenyl)-2-[[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]thio]-2-phenyl-acetamide::N-(2,5-dimethylphenyl)-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-ethanamide::SMR000263931::cid_4172178 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4172178 252626198 ZINC03221443 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84036 O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o1 InChI=1S/C18H15NO3/c20-15-12-17(22-16-9-5-4-8-14(15)16)18(21)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,21) HSCXPCBNVKUKRZ-UHFFFAOYSA-N 45602 4-keto-N-phenethyl-chromene-2-carboxamide::4-oxidanylidene-N-(2-phenylethyl)chromene-2-carboxamide::4-oxo-N-(2-phenylethyl)-1-benzopyran-2-carboxamide::4-oxo-N-(2-phenylethyl)-4H-chromene-2-carboxamide::4-oxo-N-(2-phenylethyl)chromene-2-carboxamide::MLS000677551::SMR000271722::cid_1330165 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45602&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1330165 252626199 ZINC01161922 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84037 S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1 InChI=1S/C14H11N5OS/c21-14-18-17-13(11-5-8-15-9-6-11)19(14)16-7-1-3-12-4-2-10-20-12/h1-10H,(H,18,21) MUSJFLNMBQBELM-UHFFFAOYSA-N 45603 4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(2-furyl)prop-2-enylidene]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-{[3-(2-furyl)-2-propen-1-ylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol::MLS000677563::SMR000271734::cid_1600860 Coagulation factor XII 45282.07 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45603&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6866495 252626200 ZINC15986350 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84038 COc1ccc(Cl)cc1NC(=S)NNC(=O)C1(C)CC1(Cl)Cl InChI=1S/C13H14Cl3N3O2S/c1-12(6-13(12,15)16)10(20)18-19-11(22)17-8-5-7(14)3-4-9(8)21-2/h3-5H,6H2,1-2H3,(H,18,20)(H2,17,19,22) DVJUIESPHLXJBC-UHFFFAOYSA-N 45604 1-(5-chloro-2-methoxy-phenyl)-3-[(2,2-dichloro-1-methyl-cyclopropanecarbonyl)amino]thiourea::1-(5-chloro-2-methoxyphenyl)-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]thiourea::1-(5-chloro-2-methoxyphenyl)-3-[[(2,2-dichloro-1-methylcyclopropyl)-oxomethyl]amino]thiourea::1-[[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylamino]-3-(5-chloranyl-2-methoxy-phenyl)thiourea::MLS000621300::N-(5-chloro-2-methoxyphenyl)-2-[(2,2-dichloro-1-methylcyclopropyl)carbonyl]hydrazinecarbothioamide::SMR000294312::cid_2956455 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45604&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2956455 252626201 ZINC13496756 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84039 Nc1nc(nn1C(=O)c1ccccc1Cl)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-6-2-1-5-10(11)13(21)20-14(16)18-12(19-20)9-4-3-7-17-8-9/h1-8H,(H2,16,18,19) UHIWVKZCJPLNNG-UHFFFAOYSA-N 33825 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-chlorophenyl)methanone::1-(2-chlorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000666413::SMR000294242::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone::cid_970713 Coagulation factor XII 89.866667 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33825&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970713 252616723 ZINC00610248 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84040 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+]([O-])=O)cc1 InChI=1S/C16H17N3O5S/c17-25(23,24)14-7-5-12(6-8-14)9-10-18-16(20)11-13-3-1-2-4-15(13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24) BGCNZNXNQURJDY-UHFFFAOYSA-N 32894 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide::2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide::MLS000689902::N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-(2-nitrophenyl)acetamide::SMR000298584::cid_1346615 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32894&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1346615 252616028 ZINC01183319 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84041 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1 InChI=1S/C16H14N4O2/c1-22-13-9-7-11(8-10-13)14-18-16(17)20(19-14)15(21)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19) ZORHHXHFYWHARS-UHFFFAOYSA-N 45605 1-benzoyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine::MLS000662234::SMR000293132::[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-phenyl-methanone::[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-azanyl-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-phenyl-methanone::cid_753280 Coagulation factor XII 43.963333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45605&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 753280 252626202 ZINC00205347 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84042 CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1 InChI=1S/C15H15N5O2S2/c1-2-3-8-19-17-15(16-18-19)20(13(21)11-6-4-9-23-11)14(22)12-7-5-10-24-12/h4-7,9-10H,2-3,8H2,1H3 KGSRYOUTAFUTIJ-UHFFFAOYSA-N 32896 MLS000679754::N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N-thiophen-2-ylcarbonyl-thiophene-2-carboxamide::N-(2-butyl-2H-tetrazol-5-yl)-N-(2-thienylcarbonyl)-2-thiophenecarboxamide::N-(2-butyl-5-tetrazolyl)-N-[oxo(thiophen-2-yl)methyl]-2-thiophenecarboxamide::N-(2-butyltetrazol-5-yl)-N-(2-thenoyl)thiophene-2-carboxamide::N-(2-butyltetrazol-5-yl)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide::SMR000296997::cid_1828813 Coagulation factor XII 650.433333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32896&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1828813 252616030 ZINC02194583 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84043 CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 InChI=1S/C22H24N4O3S/c1-3-26-20(14-23-21(28)13-16-9-11-18(29-2)12-10-16)24-25-22(26)30-15-19(27)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,23,28) PDAZNMVZHNWPAZ-UHFFFAOYSA-N 45606 MLS000672621::N-({4-ethyl-5-[(2-oxo-2-phenylethyl)thio]-4H-1,2,4-triazol-3-yl}methyl)-2-(4-methoxyphenyl)acetamide::N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide::N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamide::N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide::SMR000295487::cid_1262768 Coagulation factor XII 594.913333 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45606&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1262768 252626203 ZINC01075029 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84044 FC(F)(F)c1ccccc1NC(=O)COc1ccc(C=O)cc1 InChI=1S/C16H12F3NO3/c17-16(18,19)13-3-1-2-4-14(13)20-15(22)10-23-12-7-5-11(9-21)6-8-12/h1-9H,10H2,(H,20,22) NIPGCGRYZHTRCC-UHFFFAOYSA-N 45607 2-(4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide::2-(4-methanoylphenoxy)-N-[2-(trifluoromethyl)phenyl]ethanamide::MLS000672310::SMR000295547::cid_2222433 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45607&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2222433 252626204 ZINC02869327 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84045 COC(=O)c1ccccc1NC(=O)Nc1cc(C)ccn1 InChI=1S/C15H15N3O3/c1-10-7-8-16-13(9-10)18-15(20)17-12-6-4-3-5-11(12)14(19)21-2/h3-9H,1-2H3,(H2,16,17,18,20) CCAZEZTXWRQEIE-UHFFFAOYSA-N 45608 2-[(4-methyl-2-pyridyl)carbamoylamino]benzoic acid methyl ester::2-[[[(4-methyl-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester::MLS000679470::SMR000297645::cid_6467137::methyl 2-({[(4-methyl-2-pyridinyl)amino]carbonyl}amino)benzoate::methyl 2-[(4-methylpyridin-2-yl)carbamoylamino]benzoate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45608&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6467137 252626205 ZINC06714669 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84046 Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1cccnc1 InChI=1S/C14H10FN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) FXRFMCDLHSKARY-UHFFFAOYSA-N 33843 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone::1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000665897::SMR000294586::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::cid_972160 Coagulation factor XII 80.85 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33843&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 972160 252616741 ZINC00612213 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84047 COc1cccc(NC(=O)Nc2ccccc2SC)c1 InChI=1S/C15H16N2O2S/c1-19-12-7-5-6-11(10-12)16-15(18)17-13-8-3-4-9-14(13)20-2/h3-10H,1-2H3,(H2,16,17,18) JTKXTGXHHYEMKU-UHFFFAOYSA-N 45609 1-(3-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea::1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]urea::MLS000679449::N-(3-methoxyphenyl)-N'-[2-(methylthio)phenyl]urea::SMR000297605::cid_6466475 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45609&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 6466475 252626206 ZINC06725786 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84048 [O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCCC1 InChI=1S/C19H19N3O4/c23-18(13-14-7-1-4-10-17(14)22(25)26)20-16-9-3-2-8-15(16)19(24)21-11-5-6-12-21/h1-4,7-10H,5-6,11-13H2,(H,20,23) ADEVCVFREQYPCA-UHFFFAOYSA-N 45610 2-(2-nitrophenyl)-N-(2-pyrrolidin-1-ylcarbonylphenyl)ethanamide::2-(2-nitrophenyl)-N-[2-(1-pyrrolidinylcarbonyl)phenyl]acetamide::2-(2-nitrophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide::2-(2-nitrophenyl)-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]acetamide::MLS000662019::SMR000293279::cid_1304595 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45610&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1304595 252626207 ZINC01129245 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84049 COc1cccc(CN2CCNC(=O)C2CC(=O)N2CCCC2(CC=C)CC=C)c1OC InChI=1S/C25H35N3O4/c1-5-11-25(12-6-2)13-8-15-28(25)22(29)17-20-24(30)26-14-16-27(20)18-19-9-7-10-21(31-3)23(19)32-4/h5-7,9-10,20H,1-2,8,11-18H2,3-4H3,(H,26,30) DIYPYPPEYMSWQN-UHFFFAOYSA-N 45611 3-[2-(2,2-diallylpyrrolidin-1-yl)-2-oxoethyl]-4-(2,3-dimethoxybenzyl)piperazin-2-one::3-[2-(2,2-diallylpyrrolidino)-2-keto-ethyl]-4-o-veratryl-piperazin-2-one::3-[2-[2,2-bis(prop-2-enyl)-1-pyrrolidinyl]-2-oxoethyl]-4-[(2,3-dimethoxyphenyl)methyl]-2-piperazinone::3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-2-one::3-[2-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-2-one::MLS000733275::SMR000315759::cid_16189918 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45611&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16189918 252626208 ZINC13594097 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84050 CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 InChI=1S/C16H17N3O2S/c1-10(2)11-5-6-14(20)13(8-11)18-16(22)19-15(21)12-4-3-7-17-9-12/h3-10,20H,1-2H3,(H2,18,19,21,22) GOMXOOBWXAXNNW-UHFFFAOYSA-N 45612 MLS000627093::N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]nicotinamide::N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide::N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]pyridine-3-carboxamide::N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]pyridine-3-carboxamide::N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothioyl}nicotinamide::SMR000299372::cid_889369 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45612&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 889369 252626209 ZINC00463813 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84051 O=C(C1CCCN(Cc2nc(no2)-c2cnccn2)C1)c1cccnc1 InChI=1S/C18H18N6O2/c25-17(13-3-1-5-19-9-13)14-4-2-8-24(11-14)12-16-22-18(23-26-16)15-10-20-6-7-21-15/h1,3,5-7,9-10,14H,2,4,8,11-12H2 XMJNODXSUVORNR-UHFFFAOYSA-N 45613 MLS000773074::SMR000318723::[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidyl]-(3-pyridyl)methanone::[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-3-yl-methanone::[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-3-ylmethanone::[1-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidinyl]-(3-pyridinyl)methanone::cid_16190024::{1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}(pyridin-3-yl)methanone Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45613&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190024 252626210 ZINC13636736 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84052 CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC1)C(=O)Cn1cnnn1 InChI=1S/C18H22FN5O3/c1-2-27-17(26)18(11-14-4-3-5-15(19)10-14)6-8-23(9-7-18)16(25)12-24-13-20-21-22-24/h3-5,10,13H,2,6-9,11-12H2,1H3 AUMOVYOKIBFUIL-UHFFFAOYSA-N 45614 4-(3-fluorobenzyl)-1-[2-(tetrazol-1-yl)acetyl]isonipecotic acid ethyl ester::4-[(3-fluorophenyl)methyl]-1-[1-oxo-2-(1-tetrazolyl)ethyl]-4-piperidinecarboxylic acid ethyl ester::MLS000734415::SMR000318838::cid_16190336::ethyl 4-(3-fluorobenzyl)-1-(1H-tetrazol-1-ylacetyl)piperidine-4-carboxylate::ethyl 4-[(3-fluorophenyl)methyl]-1-[2-(1,2,3,4-tetrazol-1-yl)ethanoyl]piperidine-4-carboxylate::ethyl 4-[(3-fluorophenyl)methyl]-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylate Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45614&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190336 252626211 ZINC11873538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84053 CN(Cc1nc(no1)-c1ccc(Cl)cc1)Cc1ccccn1 InChI=1S/C16H15ClN4O/c1-21(10-14-4-2-3-9-18-14)11-15-19-16(20-22-15)12-5-7-13(17)8-6-12/h2-9H,10-11H2,1H3 JMTYXHDTVKJJJB-UHFFFAOYSA-N 33847 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine::MLS000734093::N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-pyridinyl)methanamine::N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-pyridin-2-yl-methanamine::N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine::SMR000316630::[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-(2-pyridylmethyl)amine::cid_16190432 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190432 252616745 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84054 CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C InChI=1S/C19H20ClFN4O3/c1-4-25-12(3)15(11(2)23-25)9-22-19(26)17-8-14(28-24-17)10-27-18-6-5-13(21)7-16(18)20/h5-8H,4,9-10H2,1-3H3,(H,22,26) NZGMCNNTJNEOHA-UHFFFAOYSA-N 45615 5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide::5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]isoxazole-3-carboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-isoxazolecarboxamide::5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide::MLS000773054::SMR000318701::cid_16190493 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45615&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190493 252626212 ZINC13636716 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84055 COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1 InChI=1S/C20H25N5O3/c1-24(14-16-12-21-7-8-22-16)19(26)11-17-20(27)23-9-10-25(17)13-15-5-3-4-6-18(15)28-2/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,23,27) JONNTFLXBWNFIC-UHFFFAOYSA-N 45616 2-(3-keto-1-o-anisyl-piperazin-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)ethanamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazinyl]-N-methyl-N-(2-pyrazinylmethyl)acetamide::2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide::MLS000732624::SMR000315355::cid_16190777 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45616&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190777 252626213 ZINC12596746 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84056 Cc1cc(CNC(=O)CC2N(CC(c3ccccc3)c3ccccc3)CCNC2=O)on1 InChI=1S/C25H28N4O3/c1-18-14-21(32-28-18)16-27-24(30)15-23-25(31)26-12-13-29(23)17-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,22-23H,12-13,15-17H2,1H3,(H,26,31)(H,27,30) WNXLWPJFYKCXRM-UHFFFAOYSA-N 45617 2-[1-(2,2-diphenylethyl)-3-keto-piperazin-2-yl]-N-[(3-methylisoxazol-5-yl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamide::2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-[(3-methyl-5-isoxazolyl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[(3-methylisoxazol-5-yl)methyl]acetamide::MLS000773118::SMR000318785::cid_16190888 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45617&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16190888 252626214 ZINC59796168 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84057 COC(c1nnc(CCC(=O)N(C)Cc2cccc(c2)-n2cccn2)o1)c1ccccc1 InChI=1S/C24H25N5O3/c1-28(17-18-8-6-11-20(16-18)29-15-7-14-25-29)22(30)13-12-21-26-27-24(32-21)23(31-2)19-9-4-3-5-10-19/h3-11,14-16,23H,12-13,17H2,1-2H3 NPUJEVDXNHQOFK-UHFFFAOYSA-N 33849 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(3-pyrazol-1-ylbenzyl)propionamide::3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide::3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[3-(1-pyrazolyl)phenyl]methyl]propanamide::3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]propanamide::MLS000734546::SMR000316356::cid_16191179 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16191179 252616747 ZINC11815757 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84058 CCCn1cc(CN2CCCC(C2)C(=O)c2cccc(OC)c2)c(C)n1 InChI=1S/C21H29N3O2/c1-4-10-24-15-19(16(2)22-24)14-23-11-6-8-18(13-23)21(25)17-7-5-9-20(12-17)26-3/h5,7,9,12,15,18H,4,6,8,10-11,13-14H2,1-3H3 MYPHROJFUCQNJH-UHFFFAOYSA-N 45618 (3-methoxyphenyl)-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]methanone::(3-methoxyphenyl)-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]methanone::(3-methoxyphenyl)-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]methanone::(3-methoxyphenyl)-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone::(3-methoxyphenyl){1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanone::MLS000735903::SMR000317431::cid_16192145 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45618&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16192145 252626215 ZINC12712190 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84059 Cc1ncc(CN2CCCC(C2)C(=O)c2ccc(cc2)C(C)(C)C)s1 InChI=1S/C21H28N2OS/c1-15-22-12-19(25-15)14-23-11-5-6-17(13-23)20(24)16-7-9-18(10-8-16)21(2,3)4/h7-10,12,17H,5-6,11,13-14H2,1-4H3 GXHUYHUQMWFDKI-UHFFFAOYSA-N 45619 (4-tert-butylphenyl)-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanone::(4-tert-butylphenyl)-[1-[(2-methyl-5-thiazolyl)methyl]-3-piperidinyl]methanone::(4-tert-butylphenyl)-[1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]methanone::(4-tert-butylphenyl){1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}methanone::MLS000735943::SMR000317427::cid_16192322 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45619&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 16192322 252626216 ZINC20996382 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84060 COc1cc(cc(OC)c1OC)-c1nnco1 InChI=1S/C11H12N2O4/c1-14-8-4-7(11-13-12-6-17-11)5-9(15-2)10(8)16-3/h4-6H,1-3H3 GUSYHPMVEXGYSB-UHFFFAOYSA-N 45620 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole::MLS000711726::SMR000281493::cid_765546 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45620&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 765546 252626217 ZINC00241158 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84061 COc1ccc(NC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1 InChI=1S/C15H14Cl3N3O2/c1-23-12-6-4-11(5-7-12)20-14(15(16,17)18)21-13(22)10-3-2-8-19-9-10/h2-9,14,20H,1H3,(H,21,22) RNAJHUVHXWGWQR-UHFFFAOYSA-N 45621 MLS000711677::N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]-3-pyridinecarboxamide::N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]pyridine-3-carboxamide::N-[2,2,2-trichloro-1-(p-anisidino)ethyl]nicotinamide::N-[2,2,2-tris(chloranyl)-1-[(4-methoxyphenyl)amino]ethyl]pyridine-3-carboxamide::SMR000281444::cid_3092421 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45621&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3092421 252626218 ZINC00808607 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84062 CNS(=O)(=O)c1cc(ccc1OC)C(O)=O InChI=1S/C9H11NO5S/c1-10-16(13,14)8-5-6(9(11)12)3-4-7(8)15-2/h3-5,10H,1-2H3,(H,11,12) XKBCISMVWOJEGS-UHFFFAOYSA-N 45622 4-methoxy-3-(methylsulfamoyl)benzoic acid::MLS000713519::SMR000273000::cid_2492720 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45622&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2492720 252626219 ZINC03375006 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84063 [O-][N+](=O)c1cccc(Nc2nc(OCC#C)nc(OCC#C)n2)c1 InChI=1S/C15H11N5O4/c1-3-8-23-14-17-13(18-15(19-14)24-9-4-2)16-11-6-5-7-12(10-11)20(21)22/h1-2,5-7,10H,8-9H2,(H,16,17,18,19) ORRBRQWJGYYRRF-UHFFFAOYSA-N 45623 (4,6-dipropargyloxy-s-triazin-2-yl)-(3-nitrophenyl)amine::MLS000711239::N-(3-nitrophenyl)-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine::SMR000281006::cid_3112035 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45623&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3112035 252626220 ZINC04719594 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84064 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccncc1 InChI=1S/C11H9N3O4S/c15-14(16)10-2-1-3-11(8-10)19(17,18)13-9-4-6-12-7-5-9/h1-8H,(H,12,13) OQXBTGJQDWQQBY-UHFFFAOYSA-N 45624 3-nitro-N-(4-pyridyl)benzenesulfonamide::3-nitro-N-4-pyridinylbenzenesulfonamide::3-nitro-N-pyridin-4-yl-benzenesulfonamide::3-nitro-N-pyridin-4-ylbenzenesulfonamide::MLS000673638::SMR000298174::cid_2886109 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45624&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2886109 252626221 ZINC04706296 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84065 Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23) NNFIWDIVJBUAPK-UHFFFAOYSA-N 45625 1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one::MLS000662034::SMR000293317::cid_1306410 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45625&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1306410 242053065 ZINC01300835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 84066 Cc1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3F)C2=O)no1 InChI=1S/C17H14FN3O3S2/c1-10-8-14(20-24-10)19-15(22)6-7-21-16(23)13(26-17(21)25)9-11-4-2-3-5-12(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)/b13-9- WMUORKDYODWSLK-LCYFTJDESA-N 45626 3-[(5Z)-5-(2-fluorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(5-methylisoxazol-3-yl)propionamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide::3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(5-methyl-3-isoxazolyl)propanamide::3-[5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)propanamide::MLS000677150::SMR000270970::cid_2293496 Coagulation factor XII >50000 PubChem 10.7270/Q21G0JQS aid852 PubChem, PC PCMD http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=45626&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 2293496 252626222 ZINC01156193 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228267 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C34H45N7O4S/c35-32(36)29-12-9-27(10-13-29)23-39-33(42)30(14-11-26-17-21-38-22-18-26)40-34(43)31(8-4-7-25-15-19-37-20-16-25)41-46(44,45)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,15-16,19-20,26,30-31,38,41H,4,7-8,11,14,17-18,21-24H2,(H3,35,36)(H,39,42)(H,40,43)/t30-,31+/m0/s1 VNKFZBCCJJVXJG-IOWSJCHKSA-N 108117 US8598206, Table 6, 2 Coagulation factor XII 1500 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108117&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345653 186524987 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228268 COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 InChI=1S/C37H48N6O6S/c1-49-37(46)31-11-5-10-29(23-31)25-50(47,48)43-33(12-6-9-26-7-3-2-4-8-26)36(45)42-32(18-15-27-19-21-40-22-20-27)35(44)41-24-28-13-16-30(17-14-28)34(38)39/h2-5,7-8,10-11,13-14,16-17,23,27,32-33,40,43H,6,9,12,15,18-22,24-25H2,1H3,(H3,38,39)(H,41,44)(H,42,45)/t32-,33+/m0/s1 JPGNXUNXIAMWMQ-JHOUSYSJSA-N 108116 US8598206, Table 6, 3 Coagulation factor XII >10000 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108116&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345754 186524986 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228269 CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C35H51N7O5S/c1-25(43)42-21-17-27(18-22-42)10-14-32(41-48(46,47)24-29-5-3-2-4-6-29)35(45)40-31(13-9-26-15-19-38-20-16-26)34(44)39-23-28-7-11-30(12-8-28)33(36)37/h2-8,11-12,26-27,31-32,38,41H,9-10,13-24H2,1H3,(H3,36,37)(H,39,44)(H,40,45)/t31-,32+/m0/s1 XATHBXYKVIAZOR-AJQTZOPKSA-N 108096 US8598206, Table 6, 5 Coagulation factor XII 530 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108096&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345860 186524966 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228270 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1 DIFGLRSYVDIDJS-JHOUSYSJSA-N 108098 US8598206, Table 6, 7 Coagulation factor XII 1100 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108098&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345968 186524968 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228271 CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C36H53N7O5S/c1-2-33(44)43-22-18-27(19-23-43)11-15-32(42-49(47,48)25-29-6-4-3-5-7-29)36(46)41-31(14-10-26-16-20-39-21-17-26)35(45)40-24-28-8-12-30(13-9-28)34(37)38/h3-9,12-13,26-27,31-32,39,42H,2,10-11,14-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1 LWFLIRIWEPBXFX-AJQTZOPKSA-N 108099 US8598206, Table 6, 8 Coagulation factor XII 650 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108099&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53346082 186524969 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228272 CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C36H53N7O5S/c1-26(44)43-22-18-27(19-23-43)8-5-9-33(42-49(47,48)25-30-6-3-2-4-7-30)36(46)41-32(15-12-28-16-20-39-21-17-28)35(45)40-24-29-10-13-31(14-11-29)34(37)38/h2-4,6-7,10-11,13-14,27-28,32-33,39,42H,5,8-9,12,15-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t32-,33+/m0/s1 QCJKXYYLKAMQSD-JHOUSYSJSA-N 47177 BDBM108100::US8598206, Table 6, 9 Coagulation factor XII 630 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47177&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53346080 313362578 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228273 COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C36H53N7O6S/c1-49-24-33(44)43-21-17-27(18-22-43)10-14-32(42-50(47,48)25-29-5-3-2-4-6-29)36(46)41-31(13-9-26-15-19-39-20-16-26)35(45)40-23-28-7-11-30(12-8-28)34(37)38/h2-8,11-12,26-27,31-32,39,42H,9-10,13-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1 DTIUMOLBWQXRPH-AJQTZOPKSA-N 108102 US8598206, Table 6, 11 Coagulation factor XII 680 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108102&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345862 186524972 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228274 CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C36H54N8O5S/c1-43(2)36(47)44-22-18-27(19-23-44)11-15-32(42-50(48,49)25-29-6-4-3-5-7-29)35(46)41-31(14-10-26-16-20-39-21-17-26)34(45)40-24-28-8-12-30(13-9-28)33(37)38/h3-9,12-13,26-27,31-32,39,42H,10-11,14-25H2,1-2H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1 WYOJURVOHOBMRY-AJQTZOPKSA-N 108104 US8598206, Table 6, 13 Coagulation factor XII 2000 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108104&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345967 186524974 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228275 CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C35H52N8O5S/c1-38-35(46)43-21-17-26(18-22-43)10-14-31(42-49(47,48)24-28-5-3-2-4-6-28)34(45)41-30(13-9-25-15-19-39-20-16-25)33(44)40-23-27-7-11-29(12-8-27)32(36)37/h2-8,11-12,25-26,30-31,39,42H,9-10,13-24H2,1H3,(H3,36,37)(H,38,46)(H,40,44)(H,41,45)/t30-,31+/m0/s1 OGCGKERBEQPTBU-IOWSJCHKSA-N 108105 US8598206, Table 6, 14 Coagulation factor XII 550 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108105&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345863 186524975 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228276 CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C37H55N7O5S/c1-2-6-34(45)44-23-19-28(20-24-44)12-16-33(43-50(48,49)26-30-7-4-3-5-8-30)37(47)42-32(15-11-27-17-21-40-22-18-27)36(46)41-25-29-9-13-31(14-10-29)35(38)39/h3-5,7-10,13-14,27-28,32-33,40,43H,2,6,11-12,15-26H2,1H3,(H3,38,39)(H,41,46)(H,42,47)/t32-,33+/m0/s1 GWZGMZVWURNLOZ-JHOUSYSJSA-N 108106 US8598206, Table 6, 15 Coagulation factor XII 800 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108106&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345969 186524976 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228277 COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C35H51N7O6S/c1-48-35(45)42-21-17-26(18-22-42)10-14-31(41-49(46,47)24-28-5-3-2-4-6-28)34(44)40-30(13-9-25-15-19-38-20-16-25)33(43)39-23-27-7-11-29(12-8-27)32(36)37/h2-8,11-12,25-26,30-31,38,41H,9-10,13-24H2,1H3,(H3,36,37)(H,39,43)(H,40,44)/t30-,31+/m0/s1 ZTXALZIIFRKUGE-IOWSJCHKSA-N 108107 US8598206, Table 6, 16 Coagulation factor XII 1600 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108107&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345861 186524977 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228278 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1 LBBUQPWJBKYVNI-IOWSJCHKSA-N 108108 US8598206, 117::US8598206, 123 Coagulation factor XII 870 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108108&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91663788 186524978 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228279 CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C37H55N7O5S/c1-26(2)37(47)44-22-18-28(19-23-44)11-15-33(43-50(48,49)25-30-6-4-3-5-7-30)36(46)42-32(14-10-27-16-20-40-21-17-27)35(45)41-24-29-8-12-31(13-9-29)34(38)39/h3-9,12-13,26-28,32-33,40,43H,10-11,14-25H2,1-2H3,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1 RRYHCECMCWJEIU-JHOUSYSJSA-N 108109 US8598206, 118::US8598206, 122 Coagulation factor XII 1300 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108109&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345970 186524979 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228280 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C35H46N6O4S/c36-33(37)30-17-14-28(15-18-30)24-39-34(42)31(19-16-27-20-22-38-23-21-27)40-35(43)32(13-7-12-26-8-3-1-4-9-26)41-46(44,45)25-29-10-5-2-6-11-29/h1-6,8-11,14-15,17-18,27,31-32,38,41H,7,12-13,16,19-25H2,(H3,36,37)(H,39,42)(H,40,43)/t31-,32+/m0/s1 MCDKKKIUEGNSPK-AJQTZOPKSA-N 108110 US8598206, Table 6, 19 Coagulation factor XII 3000 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108110&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345652 186524980 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228281 CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C37H55N7O5S/c1-26(2)37(47)44-22-18-28(19-23-44)11-15-33(43-50(48,49)25-30-6-4-3-5-7-30)36(46)42-32(14-10-27-16-20-40-21-17-27)35(45)41-24-29-8-12-31(13-9-29)34(38)39/h3-9,12-13,26-28,32-33,40,43H,10-11,14-25H2,1-2H3,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1 RRYHCECMCWJEIU-JHOUSYSJSA-N 108109 US8598206, 118::US8598206, 122 Coagulation factor XII 1300 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108109&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345970 186524979 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228282 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1 LBBUQPWJBKYVNI-IOWSJCHKSA-N 108108 US8598206, 117::US8598206, 123 Coagulation factor XII 870 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108108&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 91663788 186524978 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 228283 COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 InChI=1S/C36H53N7O6S/c1-49-36(46)43-22-18-26(19-23-43)8-5-9-32(42-50(47,48)25-29-6-3-2-4-7-29)35(45)41-31(15-12-27-16-20-39-21-17-27)34(44)40-24-28-10-13-30(14-11-28)33(37)38/h2-4,6-7,10-11,13-14,26-27,31-32,39,42H,5,8-9,12,15-25H2,1H3,(H3,37,38)(H,40,44)(H,41,45)/t31-,32+/m0/s1 BJSIWIFJSRFHPS-AJQTZOPKSA-N 108115 US8598206, Table 6, 24 Coagulation factor XII 400 US Patent 10.7270/Q25T3J5F aid1800211 US8598206 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A The Medicines Company (Leipzig) GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108115&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53346081 186524985 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356166 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H38N4O4/c1-2-43-30-19-17-26(18-20-30)22-32(38-33(40)29-11-7-4-8-12-29)35(42)39-31(21-25-9-5-3-6-10-25)34(41)37-24-28-15-13-27(23-36)14-16-28/h3-20,31-32H,2,21-24,36H2,1H3,(H,37,41)(H,38,40)(H,39,42)/t31-,32+/m0/s1 UCIXIQRCAGGOJY-AJQTZOPKSA-N 200012 US9234000, 3::US9512065, N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200012&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185716 318589842 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356167 CCOc1ccc(cc1)[C@H](C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1)c1ccccc1 InChI=1S/C36H40N4O4/c1-2-44-31-19-17-30(18-20-31)34(29-11-7-4-8-12-29)36(43)38-22-21-33(41)40-32(23-26-9-5-3-6-10-26)35(42)39-25-28-15-13-27(24-37)14-16-28/h3-20,32,34H,2,21-25,37H2,1H3,(H,38,43)(H,39,42)(H,40,41)/t32-,34+/m0/s1 SWVKHIKGEAHJDC-UZNNEEJFSA-N 200094 US9234000, 85 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200094&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 122199210 318589923 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356168 CCOc1ccc(C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C39H48N4O4/c1-2-47-33-14-12-27(13-15-33)20-35(43-38(46)39-21-30-16-31(22-39)18-32(17-30)23-39)37(45)42-34(19-26-6-4-3-5-7-26)36(44)41-25-29-10-8-28(24-40)9-11-29/h3-15,30-32,34-35H,2,16-25,40H2,1H3,(H,41,44)(H,42,45)(H,43,46)/t30?,31?,32?,34-,35+,39?/m0/s1 XNXBICLEPKJLOV-VLRPPYJTSA-N 60914 US9234000, 91 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60914&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 122362656 319494464 ZINC15952940 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356169 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C36H40N4O4/c1-3-44-31-19-15-27(16-20-31)22-33(39-34(41)30-17-9-25(2)10-18-30)36(43)40-32(21-26-7-5-4-6-8-26)35(42)38-24-29-13-11-28(23-37)12-14-29/h4-20,32-33H,3,21-24,37H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t32-,33+/m0/s1 PQYXYUJVSKCKFL-JHOUSYSJSA-N 200101 US9234000, 92 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200101&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185979 318589929 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356170 CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H36Cl2N4O4/c1-2-45-28-15-12-24(13-16-28)19-32(40-33(42)27-14-17-29(36)30(37)20-27)35(44)41-31(18-23-6-4-3-5-7-23)34(43)39-22-26-10-8-25(21-38)9-11-26/h3-17,20,31-32H,2,18-19,21-22,38H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t31-,32+/m0/s1 MOIZOCHEDGLANE-AJQTZOPKSA-N 200102 US9234000, 93 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200102&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185695 318589930 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356171 CCOc1ccc(C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H36Cl2N4O4/c1-2-45-30-14-12-24(13-15-30)17-32(40-33(42)27-18-28(36)20-29(37)19-27)35(44)41-31(16-23-6-4-3-5-7-23)34(43)39-22-26-10-8-25(21-38)9-11-26/h3-15,18-20,31-32H,2,16-17,21-22,38H2,1H3,(H,39,43)(H,40,42)(H,41,44)/t31-,32+/m0/s1 SLIWSHXFSMCYGU-AJQTZOPKSA-N 200103 US9234000, 94 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200103&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90302844 318589931 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356172 CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C36H40N4O5/c1-3-45-31-17-13-26(14-18-31)22-33(39-34(41)29-15-19-30(44-2)20-16-29)36(43)40-32(21-25-7-5-4-6-8-25)35(42)38-24-28-11-9-27(23-37)10-12-28/h4-20,32-33H,3,21-24,37H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t32-,33+/m0/s1 HODNEEJOSRVWQT-JHOUSYSJSA-N 200104 US9234000, 95 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200104&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185996 318589932 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356173 CCOc1ccc(C[C@@H](NC(=O)\C=C\c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C37H40N4O4/c1-2-45-32-20-17-29(18-21-32)24-34(40-35(42)22-19-27-9-5-3-6-10-27)37(44)41-33(23-28-11-7-4-8-12-28)36(43)39-26-31-15-13-30(25-38)14-16-31/h3-22,33-34H,2,23-26,38H2,1H3,(H,39,43)(H,40,42)(H,41,44)/b22-19+/t33-,34+/m0/s1 CQESEBINUPDTGP-FCVYXQAUSA-N 200105 US9234000, 96 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200105&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 89350829 318589933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356174 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2cccs2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C32H35N5O4S/c1-2-41-25-14-12-22(13-15-25)18-28(36-31(39)27-7-3-4-16-34-27)32(40)37-29(19-26-6-5-17-42-26)30(38)35-21-24-10-8-23(20-33)9-11-24/h3-17,28-29H,2,18-21,33H2,1H3,(H,35,38)(H,36,39)(H,37,40)/t28-,29+/m1/s1 DOEHDNHECCZREA-WDYNHAJCSA-N 200166 US9234000, 157 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200166&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499431 318589994 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356175 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(C)c2)cc1 InChI=1S/C36H40N4O4/c1-3-44-31-18-15-27(16-19-31)22-33(39-34(41)29-12-8-5-9-13-29)36(43)40-32(21-26-10-6-4-7-11-26)35(42)38-24-28-14-17-30(23-37)25(2)20-28/h4-20,32-33H,3,21-24,37H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t32-,33+/m0/s1 ZSQXKFNZFSFYRJ-JHOUSYSJSA-N 200191 US9234000, 182 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200191&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499478 318590019 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356176 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C30H34N6O4S2/c1-2-40-23-9-7-19(8-10-23)13-25(36-30(39)27-24(32)11-12-42-27)29(38)35-26(14-22-17-41-18-34-22)28(37)33-16-21-5-3-20(15-31)4-6-21/h3-12,17-18,25-26H,2,13-16,31-32H2,1H3,(H,33,37)(H,35,38)(H,36,39)/t25-,26+/m1/s1 HDDOGAGGUYGJLQ-FTJBHMTQSA-N 200192 US9234000, 183::US9234000, 187 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200192&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76901757 318590020 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356177 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C30H32ClN5O4S2/c1-2-40-23-9-7-19(8-10-23)13-25(36-30(39)27-24(31)11-12-42-27)29(38)35-26(14-22-17-41-18-34-22)28(37)33-16-21-5-3-20(15-32)4-6-21/h3-12,17-18,25-26H,2,13-16,32H2,1H3,(H,33,37)(H,35,38)(H,36,39)/t25-,26+/m1/s1 PMTPLZNRQDJDQN-FTJBHMTQSA-N 200193 US9234000, 184 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200193&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90302004 318590021 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356178 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C33H37N5O4S/c1-3-42-28-14-10-23(11-15-28)16-29(37-31(39)26-12-4-22(2)5-13-26)33(41)38-30(17-27-20-43-21-36-27)32(40)35-19-25-8-6-24(18-34)7-9-25/h4-15,20-21,29-30H,3,16-19,34H2,1-2H3,(H,35,40)(H,37,39)(H,38,41)/t29-,30+/m1/s1 XXXMZDCXONCQMR-IHLOFXLRSA-N 200194 US9234000, 185 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200194&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499498 318590022 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356179 CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C36H39N5O4S/c1-3-45-28-14-12-24(13-15-28)18-30(41-36(44)33-23(2)16-17-38-33)35(43)40-31(19-27-22-46-32-7-5-4-6-29(27)32)34(42)39-21-26-10-8-25(20-37)9-11-26/h4-17,22,30-31,38H,3,18-21,37H2,1-2H3,(H,39,42)(H,40,43)(H,41,44)/t30-,31+/m1/s1 GCTFSBZKSCJATJ-JSOSNVBQSA-N 200195 US9234000, 186 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200195&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499499 318590023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356180 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C30H34N6O4S2/c1-2-40-23-9-7-19(8-10-23)13-25(36-30(39)27-24(32)11-12-42-27)29(38)35-26(14-22-17-41-18-34-22)28(37)33-16-21-5-3-20(15-31)4-6-21/h3-12,17-18,25-26H,2,13-16,31-32H2,1H3,(H,33,37)(H,35,38)(H,36,39)/t25-,26+/m1/s1 HDDOGAGGUYGJLQ-FTJBHMTQSA-N 200192 US9234000, 183::US9234000, 187 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200192&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76901757 318590020 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356181 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C37H39N5O5S2/c1-3-47-28-14-12-24(13-15-28)18-31(42-37(46)34-30(16-17-48-34)40-23(2)43)36(45)41-32(19-27-22-49-33-7-5-4-6-29(27)33)35(44)39-21-26-10-8-25(20-38)9-11-26/h4-17,22,31-32H,3,18-21,38H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)(H,42,46)/t31-,32+/m1/s1 GKOAHNGAVMWGNA-ZWXJPIIXSA-N 200197 US9234000, 188::US9234000, 195 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200197&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499156 318590024 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356182 CCOc1ccc(C[C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H39N5O4/c1-3-44-30-15-13-25(14-16-30)19-32(39-33(41)29-8-4-6-24(2)18-29)35(43)40-31(20-28-7-5-17-37-22-28)34(42)38-23-27-11-9-26(21-36)10-12-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1 SYHVZEPQLZQVQE-AJQTZOPKSA-N 200198 US9234000, 189 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200198&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499155 318590025 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356183 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H39N5O4/c1-3-44-29-16-14-25(15-17-29)19-32(39-33(41)30-9-5-4-7-24(30)2)35(43)40-31(20-28-8-6-18-37-22-28)34(42)38-23-27-12-10-26(21-36)11-13-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1 YBYIYRFQMSDYKZ-AJQTZOPKSA-N 200199 US9234000, 190 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200199&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499500 318590026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356184 CCOc1ccc(C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H41N5O4/c1-4-44-29-16-14-26(15-17-29)20-31(40-35(43)32-23(2)18-24(3)38-32)34(42)39-30(19-25-8-6-5-7-9-25)33(41)37-22-28-12-10-27(21-36)11-13-28/h5-18,30-31,38H,4,19-22,36H2,1-3H3,(H,37,41)(H,39,42)(H,40,43)/t30-,31+/m0/s1 WJCYGURKBSTJEJ-IOWSJCHKSA-N 200200 US9234000, 191 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200200&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499157 318590027 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356185 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)c(C)c2)cc1 InChI=1S/C35H39N5O4/c1-3-44-30-15-12-25(13-16-30)19-32(39-33(41)28-9-5-4-6-10-28)35(43)40-31(20-26-8-7-17-37-22-26)34(42)38-23-27-11-14-29(21-36)24(2)18-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1 KFOYMQXIDOVWGR-AJQTZOPKSA-N 200201 US9234000, 192 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200201&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499168 318590028 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356186 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C33H37N5O5S2/c1-3-43-26-10-8-22(9-11-26)16-29(38-33(42)30-27(13-15-45-30)36-21(2)39)32(41)37-28(17-25-12-14-44-20-25)31(40)35-19-24-6-4-23(18-34)5-7-24/h4-15,20,28-29H,3,16-19,34H2,1-2H3,(H,35,40)(H,36,39)(H,37,41)(H,38,42)/t28-,29+/m0/s1 FQQAMJLKTANPGO-URLMMPGGSA-N 200202 US9234000, 193 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200202&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499158 318590029 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356187 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H37N5O4S2/c1-2-44-26-13-11-22(12-14-26)17-29(40-35(43)32-28(37)15-16-45-32)34(42)39-30(18-25-21-46-31-6-4-3-5-27(25)31)33(41)38-20-24-9-7-23(19-36)8-10-24/h3-16,21,29-30H,2,17-20,36-37H2,1H3,(H,38,41)(H,39,42)(H,40,43)/t29-,30+/m1/s1 CYVSDXJVCZURLD-IHLOFXLRSA-N 200203 US9234000, 194 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200203&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76901380 318590030 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356188 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C37H39N5O5S2/c1-3-47-28-14-12-24(13-15-28)18-31(42-37(46)34-30(16-17-48-34)40-23(2)43)36(45)41-32(19-27-22-49-33-7-5-4-6-29(27)33)35(44)39-21-26-10-8-25(20-38)9-11-26/h4-17,22,31-32H,3,18-21,38H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)(H,42,46)/t31-,32+/m1/s1 GKOAHNGAVMWGNA-ZWXJPIIXSA-N 200197 US9234000, 188::US9234000, 195 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200197&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71499156 318590024 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356189 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C34H37ClN4O4S/c1-3-43-27-15-13-24(14-16-27)19-29(38-33(41)31-28(35)17-18-44-31)34(42)39(2)30(20-23-7-5-4-6-8-23)32(40)37-22-26-11-9-25(21-36)10-12-26/h4-18,29-30H,3,19-22,36H2,1-2H3,(H,37,40)(H,38,41)/t29-,30+/m1/s1 OQLWNLNQMCZSSV-IHLOFXLRSA-N 200205 US9234000, 196 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200205&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76901566 318590031 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356190 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H38N4O5/c1-2-44-29-19-17-24(18-20-29)21-30(38-33(41)28-11-7-4-8-12-28)34(42)39-31(32(40)27-9-5-3-6-10-27)35(43)37-23-26-15-13-25(22-36)14-16-26/h3-20,30-32,40H,2,21-23,36H2,1H3,(H,37,43)(H,38,41)(H,39,42)/t30-,31+,32-/m1/s1 BCBPQVFOASQXEY-YKILCQELSA-N 200206 US9234000, 197 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200206&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185740 318590032 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356191 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C33H35ClN4O5S/c1-2-43-25-14-12-21(13-15-25)18-27(37-33(42)30-26(34)16-17-44-30)31(40)38-28(29(39)24-6-4-3-5-7-24)32(41)36-20-23-10-8-22(19-35)9-11-23/h3-17,27-29,39H,2,18-20,35H2,1H3,(H,36,41)(H,37,42)(H,38,40)/t27-,28+,29-/m1/s1 JPIQGCNQXOHJHE-SSBOKUKZSA-N 200207 US9234000, 198 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200207&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 76901567 318590033 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356192 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H39N5O4/c1-3-44-30-16-12-25(13-17-30)19-32(39-33(41)29-14-6-24(2)7-15-29)35(43)40-31(20-28-5-4-18-37-22-28)34(42)38-23-27-10-8-26(21-36)9-11-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1 QLQUHMZRFARDGM-AJQTZOPKSA-N 200208 US9234000, 199 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200208&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71204163 318590034 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 356193 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(OCC(F)(F)F)cc2)NC(=O)c2ccccc2)cc1 InChI=1S/C35H35F3N4O4/c36-35(37,38)23-46-29-17-15-25(16-18-29)20-31(41-32(43)28-9-5-2-6-10-28)34(45)42-30(19-24-7-3-1-4-8-24)33(44)40-22-27-13-11-26(21-39)12-14-27/h1-18,30-31H,19-23,39H2,(H,40,44)(H,41,43)(H,42,45)/t30-,31?/m0/s1 ZFMHHRGGDRODQQ-FSRLHOSWSA-N 200210 US9234000, 201 Coagulation factor XII >10000 US Patent 10.7270/Q2X065W0 aid1802101 US9234000 Evans, DM; Davie, RL; Edwards, HJ; Rooker, DP Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200210&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71186113 318590036 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 382554 CSCCC(=O)N1CN(CN(C1)C(=O)CCSC)C(=O)CCSC InChI=1S/C15H27N3O3S3/c1-22-7-4-13(19)16-10-17(14(20)5-8-23-2)12-18(11-16)15(21)6-9-24-3/h4-12H2,1-3H3 XNEWOOABUWKDES-UHFFFAOYSA-N 218840 TATA-FXII618 (14) Coagulation factor XII 25 7.4 Curated from the literature by BindingDB 10.1002/cbic.201600612 10.7270/Q2H9942B 27982494 aid1802515 van de Langemheen, H; Korotkovs, V; Bijl, J; Wilson, C; Kale, SS; Heinis, C; Liskamp, RM University of Glasgow http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=218840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=218840&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 124222761 329994065 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 382555 CSCC(=O)N1CN(CN(C1)C(=O)CSC)C(=O)CSC InChI=1S/C12H21N3O3S3/c1-19-4-10(16)13-7-14(11(17)5-20-2)9-15(8-13)12(18)6-21-3/h4-9H2,1-3H3 SESLACGWCLIGCW-UHFFFAOYSA-N 218838 TATB-FXII618 (15)::TATB-PK15 (11) Coagulation factor XII 340 7.4 Curated from the literature by BindingDB 10.1002/cbic.201600612 10.7270/Q2H9942B 27982494 aid1802515 van de Langemheen, H; Korotkovs, V; Bijl, J; Wilson, C; Kale, SS; Heinis, C; Liskamp, RM University of Glasgow http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=218838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=218838&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 124222759 329994063 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 382556 CSCc1nc(CSC)nc(CSC)n1 InChI=1S/C9H15N3S3/c1-13-4-7-10-8(5-14-2)12-9(11-7)6-15-3/h4-6H2,1-3H3 LLRKYJLGNJXILI-UHFFFAOYSA-N 218839 TBMT-FX618 (16)::TBMT-PK15 (12) Coagulation factor XII 1220 7.4 Curated from the literature by BindingDB 10.1002/cbic.201600612 10.7270/Q2H9942B 27982494 aid1802515 van de Langemheen, H; Korotkovs, V; Bijl, J; Wilson, C; Kale, SS; Heinis, C; Liskamp, RM University of Glasgow http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=218839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=218839&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 124222760 329994064 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50148551 C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N InChI=1S/C25H32N6O8S/c1-14(32)21(31-40(38,39)13-16-3-2-4-18(11-16)25(36)37)24(35)30-19(9-10-20(26)33)23(34)29-12-15-5-7-17(8-6-15)22(27)28/h2-8,11,14,19,21,31-32H,9-10,12-13H2,1H3,(H2,26,33)(H3,27,28)(H,29,34)(H,30,35)(H,36,37)/t14-,19+,21+/m1/s1 BVRYSOCIONUZJI-RFVSGWPVSA-N 50272559 3-({(1S,2R)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-carbamoyl-propylcarbamoyl]-2-hydroxy-propylsulfamoyl}-methyl)-benzoic acid::CHEMBL506502 Coagulation factor XII >100000 ChEMBL 10.1016/j.bmcl.2008.07.044 10.7270/Q29G5MN3 18674905 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Chugai Pharmaceutical Co. Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272559&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44587291 104116936 CHEMBL506502 ZINC42833880 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50148552 CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N InChI=1S/C25H33N5O7S2/c1-15(31)21(30-39(36,37)14-17-4-3-5-19(12-17)25(34)35)24(33)29-20(10-11-38-2)23(32)28-13-16-6-8-18(9-7-16)22(26)27/h3-9,12,15,20-21,30-31H,10-11,13-14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,33)(H,34,35)/t15-,20+,21+/m1/s1 AXPWDMKWJUPXPM-NQERJWCQSA-N 50272560 3-({(1S,2R)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-hydroxy-propylsulfamoyl}-methyl)-benzoic acid::CHEMBL506769 Coagulation factor XII >100000 ChEMBL 10.1016/j.bmcl.2008.07.044 10.7270/Q29G5MN3 18674905 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Chugai Pharmaceutical Co. Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272560&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44587292 104116937 CHEMBL506769 ZINC42834860 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50148553 CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N InChI=1S/C27H37N5O6S2/c1-4-17(2)23(32-40(37,38)16-19-6-5-7-21(14-19)27(35)36)26(34)31-22(12-13-39-3)25(33)30-15-18-8-10-20(11-9-18)24(28)29/h5-11,14,17,22-23,32H,4,12-13,15-16H2,1-3H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)/t17-,22-,23-/m0/s1 FTSMHGMRYKGZGU-RTFZILSDSA-N 50272576 3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid::CHEMBL527117 Coagulation factor XII >100000 ChEMBL 10.1016/j.bmcl.2008.07.044 10.7270/Q29G5MN3 18674905 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Chugai Pharmaceutical Co. Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272576&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44587314 104116944 CHEMBL527117 ZINC42921160 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50148554 CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-19-6-4-5-7-20(19)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-8-10-18(11-9-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1 QUIFDUAAKRRGSP-YROCYRMSSA-N 50272538 2-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-carbamoyl-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid::CHEMBL505986 Coagulation factor XII >100000 ChEMBL 10.1016/j.bmcl.2008.07.044 10.7270/Q29G5MN3 18674905 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Chugai Pharmaceutical Co. Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272538&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44587263 104116923 CHEMBL505986 ZINC42833737 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50248506 OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 InChI=1S/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 LHBYFFXOUVRTCW-WUZJXDRUSA-N 50032874 CHEMBL3355683 Coagulation factor XII 9218 ChEMBL 10.1021/jm5010607 10.7270/Q2RV0Q9S 25405503 Hangeland, JJ; Friends, TJ; Rossi, KA; Smallheer, JM; Wang, C; Sun, Z; Corte, JR; Fang, T; Wong, PC; Rendina, AR; Barbera, FA; Bozarth, JM; Luettgen, JM; Watson, CA; Zhang, G; Wei, A; Ramamurthy, V; Morin, PE; Bisacchi, GS; Subramaniam, S; Arunachalam, P; Mathur, A; Seiffert, DA; Wexler, RR; Quan, ML Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50032874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50032874&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 118721008 103941297 CHEMBL3355683 ZINC26968177 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50360472 CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 InChI=1S/C30H26Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22,43H,8-11,14H2,1H3,(H,35,44)/b7-3+,28-18-/t22-/m0/s1 QURJCLPLOGZUQW-ZIMJUVOESA-N 50096792 CHEMBL3580759 Coagulation factor XII >20000 ChEMBL 10.1021/acsmedchemlett.5b00066 10.7270/Q2B27X24 26005539 Hu, Z; Wong, PC; Gilligan, PJ; Han, W; Pabbisetty, KB; Bozarth, JM; Crain, EJ; Harper, T; Luettgen, JM; Myers, JE; Ramamurthy, V; Rossi, KA; Sheriff, S; Watson, CA; Wei, A; Zheng, JJ; Seiffert, DA; Wexler, RR; Quan, ML Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096792&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4CE 4Y8Z 122363020 319496385 CHEMBL3580759 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50449515 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1 FMPAHDTULKAUPN-SYZXBLONSA-N 50136608 CHEMBL3754069 Coagulation factor XII >28000 ChEMBL 10.1016/j.bmcl.2015.11.089 10.7270/Q27H1MFM 26704266 Smith, LM; Orwat, MJ; Hu, Z; Han, W; Wang, C; Rossi, KA; Gilligan, PJ; Pabbisetty, KB; Osuna, H; Corte, JR; Rendina, AR; Luettgen, JM; Wong, PC; Narayanan, R; Harper, TW; Bozarth, JM; Crain, EJ; Wei, A; Ramamurthy, V; Morin, PE; Xin, B; Zheng, J; Seiffert, DA; Quan, ML; Lam, PY; Wexler, RR; Pinto, DJ Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136608&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5JM 5E2O 25166809 336951935 CHEMBL3754069 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50449516 CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 InChI=1S/C32H32ClN9O5/c1-40-14-16-41(17-15-40)32(47)36-26-8-2-21(3-9-26)18-27(30(44)35-25-10-4-22(5-11-25)31(45)46)37-29(43)13-6-23-19-24(33)7-12-28(23)42-20-34-38-39-42/h2-13,19-20,27H,14-18H2,1H3,(H,35,44)(H,36,47)(H,37,43)(H,45,46)/b13-6+/t27-/m0/s1 NWILZYMDURQVEC-PEOFMFGLSA-N 50136573 CHEMBL3752047 Coagulation factor XII >3700 ChEMBL 10.1016/j.bmcl.2015.11.089 10.7270/Q27H1MFM 26704266 Smith, LM; Orwat, MJ; Hu, Z; Han, W; Wang, C; Rossi, KA; Gilligan, PJ; Pabbisetty, KB; Osuna, H; Corte, JR; Rendina, AR; Luettgen, JM; Wong, PC; Narayanan, R; Harper, TW; Bozarth, JM; Crain, EJ; Wei, A; Ramamurthy, V; Morin, PE; Xin, B; Zheng, J; Seiffert, DA; Quan, ML; Lam, PY; Wexler, RR; Pinto, DJ Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136573&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 127027635 336951925 CHEMBL3752047 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50449517 Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1 JAUUPTJHJIUVMZ-QHCPKHFHSA-N 50136579 CHEMBL3754781 Coagulation factor XII >28000 ChEMBL 10.1016/j.bmcl.2015.11.089 10.7270/Q27H1MFM 26704266 Smith, LM; Orwat, MJ; Hu, Z; Han, W; Wang, C; Rossi, KA; Gilligan, PJ; Pabbisetty, KB; Osuna, H; Corte, JR; Rendina, AR; Luettgen, JM; Wong, PC; Narayanan, R; Harper, TW; Bozarth, JM; Crain, EJ; Wei, A; Ramamurthy, V; Morin, PE; Xin, B; Zheng, J; Seiffert, DA; Quan, ML; Lam, PY; Wexler, RR; Pinto, DJ Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50136579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50136579&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7P0 5E2P,4CRB 59402011 336951931 CHEMBL3754781 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467767 Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 InChI=1S/C16H9BrClNO3/c17-13-8-10(18)6-9-7-12(16(21)22-14(9)13)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20) IUBMSLQOIUSAFA-UHFFFAOYSA-N 23548 3-Carboxamide-coumarin deriv., 44::8-bromo-6-chloro-2-oxo-N-phenyl-2H-chromene-3-carboxamide Coagulation factor XII 16000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=23548&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24860440 50091809 ZINC40429502 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467768 Oc1ccc(Cl)cc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O InChI=1S/C16H8BrCl2NO4/c17-11-5-9(19)3-7-4-10(16(23)24-14(7)11)15(22)20-12-6-8(18)1-2-13(12)21/h1-6,21H,(H,20,22) RKHZSUUAAYJFJX-UHFFFAOYSA-N 50146944 CHEMBL3765536 Coagulation factor XII 5000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146944&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9973391 104035508 CHEMBL3765536 ZINC13561214 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467769 Oc1cc(Cl)ccc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O InChI=1S/C16H8BrCl2NO4/c17-11-5-9(19)3-7-4-10(16(23)24-14(7)11)15(22)20-12-2-1-8(18)6-13(12)21/h1-6,21H,(H,20,22) WIFYTVRMLBYQLQ-UHFFFAOYSA-N 50146945 CHEMBL3763678 Coagulation factor XII 8000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146945&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9973110 104035509 CHEMBL3763678 ZINC13561215 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467770 Oc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1 InChI=1S/C16H9BrClNO4/c17-13-7-9(18)5-8-6-12(16(22)23-14(8)13)15(21)19-10-1-3-11(20)4-2-10/h1-7,20H,(H,19,21) SSDSUWDVAFGJRG-UHFFFAOYSA-N 50146946 CHEMBL3763449 Coagulation factor XII 41000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146946&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11278543 104035510 CHEMBL3763449 ZINC13561217 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467771 Oc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1 InChI=1S/C16H9BrClNO4/c17-13-6-9(18)4-8-5-12(16(22)23-14(8)13)15(21)19-10-2-1-3-11(20)7-10/h1-7,20H,(H,19,21) CCBZRUWOOOEWBU-UHFFFAOYSA-N 50146947 CHEMBL3764790 Coagulation factor XII 34000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146947&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11348104 104035511 CHEMBL3764790 ZINC13561221 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50467772 Oc1ccccc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O InChI=1S/C16H9BrClNO4/c17-11-7-9(18)5-8-6-10(16(22)23-14(8)11)15(21)19-12-3-1-2-4-13(12)20/h1-7,20H,(H,19,21) RCKDNGGYXQPJNS-UHFFFAOYSA-N 50146992 CHEMBL3763881 Coagulation factor XII 7000 ChEMBL 10.1016/j.ejmech.2016.01.023 10.7270/Q29G5PNX 26827162 Bouckaert, C; Serra, S; Rondelet, G; DoluÅ¡ic, E; Wouters, J; Dogné, JM; Frédérick, R; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146992&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44330575 85455078 CHEMBL3763881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782145 CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m1/s1 ZUWBXGHMVKDMQO-XMMPIXPASA-N 50060029 3-[(R)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL322901 Coagulation factor XII 200000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060029&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10696955 103955802 CHEMBL322901 ZINC12504151 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782180 CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C27H32N6O4S/c1-31(2)27(35)33-14-12-32(13-15-33)26(34)24(17-19-6-5-9-22(16-19)25(28)29)30-38(36,37)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,12-15,17H2,1-2H3,(H3,28,29)/t24-/m1/s1 AMRRXWBRMUATPJ-XMMPIXPASA-N 50060035 4-[(R)-3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sulfonylamino)-propionyl]-piperazine-1-carboxylic acid dimethylamide::CHEMBL107627 Coagulation factor XII 61000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060035&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10578280 103955808 CHEMBL107627 ZINC26839714 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782243 Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1 ONUNOWVVELQNRN-XMMPIXPASA-N 50060019 3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2,2,5,7,8-pentamethyl-chroman-6-sulfonylamino)-propyl]-benzamidine::CHEMBL107743 Coagulation factor XII >1000000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060019&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44335624 103955792 CHEMBL107743 ZINC26833273 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782256 CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1 ROHIQEZPGXXMND-HSZRJFAPSA-N 50060017 3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL107392 Coagulation factor XII 52000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060017&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10816339 103955790 CHEMBL107392 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782261 CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C25H29N5O3S/c1-29-11-13-30(14-12-29)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-34(32,33)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1 NRTKDGANVXKTQD-HSZRJFAPSA-N 50060031 3-[(R)-3-(4-Methyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL107911 Coagulation factor XII 280000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060031&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10648370 103955804 CHEMBL107911 ZINC13765411 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782301 NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1 InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)/t24-/m1/s1 SVQXGJDWUSQUPO-XMMPIXPASA-N 50060024 3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL107282 Coagulation factor XII 400000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060024&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10815545 103955797 CHEMBL107282 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782312 CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 InChI=1S/C26H39N5O6S2/c1-25(2)20-7-8-26(25,22(32)17-20)9-14-39(36,37)29-21(16-18-5-4-6-19(15-18)23(27)28)24(33)30-10-12-31(13-11-30)38(3,34)35/h4-6,15,20-21,29H,7-14,16-17H2,1-3H3,(H3,27,28)/t20?,21-,26?/m1/s1 JNPJLUMJGJWVKP-QLSBTUPBSA-N 50060046 3-[(R)-2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-ethanesulfonylamino]-3-(4-methanesulfonyl-piperazin-1-yl)-3-oxo-propyl]-benzamidine::CHEMBL319035 Coagulation factor XII 55000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060046&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44335601 103955819 CHEMBL319035 ZINC36242769 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50782326 NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1 InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1 CCIUEYWVRCQMRD-HSZRJFAPSA-N 50060023 3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL322165 Coagulation factor XII 53000 ChEMBL 10.1021/jm960668h 10.7270/Q2Z60PRH 9301673 Sturzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikstrom, P Klinikum der Friedrich-Schiller-Universit£t Jena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060023&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 10624997 103955796 CHEMBL322165 ZINC13765419 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50861756 NC(N)=NCCC[C@H](NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18+/m0/s1 BZGZTAKGLPGMAV-ZWKOTPCHSA-N 50328697 (R)-5-guanidino-N-(2-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-2-oxoethyl)-2-(phenylmethylsulfonamido)pentanamide::CHEMBL414002 Coagulation factor XII 50 ChEMBL 10.1016/j.bmc.2007.11.015 10.7270/Q21J9BNH 18053726 Maryanoff, BE; Costanzo, MJ Johnson & Johnson Pharmaceutical Research & Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9916876 123107812 CHEMBL414002 ZINC03929532 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50941911 Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1 InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1 ZIKSLKHARJRZCC-RUZDIDTESA-N 50386271 CHEMBL2040983 Coagulation factor XII >500000 ChEMBL 10.1016/j.ejmech.2012.06.032 10.7270/Q20P1126 22770607 Al-Horani, RA; Mehta, AY; Desai, UR Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50386271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50386271&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 66573845 160865354 CHEMBL2040983 ZINC84668920 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092796 CC(C)(C)[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C19H28ClN3O5S/c1-19(2,3)16(24)18(26)23-6-7-29(27,28)11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 CLJFVHRZLPWKHB-HOTGVXAUSA-N 50447845 CHEMBL3114553 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447845&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71748113 194945741 CHEMBL3114553 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092797 CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C19H28ClN3O3S/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 NTCIXIFCFSINOS-HOTGVXAUSA-N 50447846 CHEMBL3114555 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447846&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 60150643 194945742 CHEMBL3114555 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092798 CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C19H28ClN3O4/c1-19(2,3)16(24)18(26)23-6-7-27-11-15(23)17(25)22-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,24H,6-7,9-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 VIBLPWPPWBZROD-HOTGVXAUSA-N 50447847 CHEMBL3114556 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71748095 194945743 CHEMBL3114556 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092799 CN1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@H](O)C(C)(C)C InChI=1S/C20H31ClN4O3/c1-20(2,3)17(26)19(28)25-8-7-24(4)12-16(25)18(27)23-11-14-9-15(21)6-5-13(14)10-22/h5-6,9,16-17,26H,7-8,10-12,22H2,1-4H3,(H,23,27)/t16-,17-/m0/s1 XCKMDTIMMRBONX-IRXDYDNUSA-N 50447848 CHEMBL3114557 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447848&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71748094 194945744 CHEMBL3114557 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092800 CC(C)(C)[C@@H](O)C(=O)N1CCNC[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C19H29ClN4O3/c1-19(2,3)16(25)18(27)24-7-6-22-11-15(24)17(26)23-10-13-8-14(20)5-4-12(13)9-21/h4-5,8,15-16,22,25H,6-7,9-11,21H2,1-3H3,(H,23,26)/t15-,16-/m0/s1 ZRDPCADUQGGZIN-HOTGVXAUSA-N 50447849 CHEMBL3114558 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71748093 194945745 CHEMBL3114558 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092801 CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C20H30ClN3O3/c1-20(2,3)17(25)19(27)24-9-5-4-6-16(24)18(26)23-12-14-10-15(21)8-7-13(14)11-22/h7-8,10,16-17,25H,4-6,9,11-12,22H2,1-3H3,(H,23,26)/t16-,17-/m0/s1 ADLHOYNNHIATDP-IRXDYDNUSA-N 50447850 CHEMBL3114559 Coagulation factor XII 15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447850&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71748092 194945746 CHEMBL3114559 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51092802 CC(C)(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN InChI=1S/C19H28ClN3O3/c1-19(2,3)16(24)18(26)23-8-4-5-15(23)17(25)22-11-13-9-14(20)7-6-12(13)10-21/h6-7,9,15-16,24H,4-5,8,10-11,21H2,1-3H3,(H,22,25)/t15-,16-/m0/s1 PNAHCXCCVILOIN-HOTGVXAUSA-N 50447851 CHEMBL3114560 Coagulation factor XII >15000 ChEMBL 10.1016/j.bmcl.2014.01.002 10.7270/Q2ZC84B8 24461292 Blizzard, TA; Singh, S; Patil, B; Chidurala, N; Komanduri, V; Debnath, S; Belyakov, S; Crespo, A; Struck, A; Kurtz, M; Wiltsie, J; Shen, X; Sonatore, L; Arocho, M; Lewis, D; Ogletree, M; Biftu, T Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50447851&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 11740591 194945747 CHEMBL3114560 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51042555 NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 InChI=1S/C43H51N9O6S/c44-41(45)34-12-6-32(7-13-34)28-46-42(55)37-26-30-8-14-35(15-9-30)47-39(53)18-20-51-22-24-52(25-23-51)21-19-40(54)48-36-16-10-31(11-17-36)27-38(43(56)49-37)50-59(57,58)29-33-4-2-1-3-5-33/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/m0/s1 VGPDGESAAIVXNO-QPPIDDCLSA-N 50425648 CHEMBL2315243 Coagulation factor XII >20000 ChEMBL 10.1021/jm3012917 10.7270/Q2RB75W8 23294255 Saupe, SM; Leubner, S; Betz, M; Klebe, G; Steinmetzer, T Philipps University Marburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50425648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50425648&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71561420 164154523 CHEMBL2315243 ZINC95593581 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51042556 NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 InChI=1S/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/m0/s1 KODRHCNJBWRWGP-MPQUPPDSSA-N 50425649 CHEMBL2315239 Coagulation factor XII >100000 ChEMBL 10.1021/jm3012917 10.7270/Q2RB75W8 23294255 Saupe, SM; Leubner, S; Betz, M; Klebe, G; Steinmetzer, T Philipps University Marburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50425649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50425649&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 60162406 164154524 CHEMBL2315239 ZINC95594270 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50518223 C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 InChI=1S/C33H34FN5O5S/c1-18-12-20-4-9-25(18)19(2)17-44-33(41)38-22-6-11-29(45(42,43)24-7-8-24)21(13-22)16-39(3)32(40)30(20)37-23-5-10-26-27(14-23)28(34)15-36-31(26)35/h4-6,9-15,19,24,30,37H,7-8,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1 ZVYUEFHDJYEETD-WWOZWPLTSA-N 189434 US9174974, Example 19 Coagulation factor XII 7500 ChEMBL 10.1021/acs.jmedchem.6b00469 10.7270/Q2TM7D37 27455395 Zhang, X; Glunz, PW; Johnson, JA; Jiang, W; Jacutin-Porte, S; Ladziata, V; Zou, Y; Phillips, MS; Wurtz, NR; Parkhurst, B; Rendina, AR; Harper, TM; Cheney, DL; Luettgen, JM; Wong, PC; Seiffert, D; Wexler, RR; Priestley, ES Bristol-Myers Squibb R & D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=189434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=189434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 72551247 316890926 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477281 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1 InChI=1S/C25H26N4OS/c1-17-12-23(24(30)27-14-20-10-8-19(13-26)9-11-20)18(2)29(17)15-22-16-31-25(28-22)21-6-4-3-5-7-21/h3-12,16H,13-15,26H2,1-2H3,(H,27,30) SJVAITNWGSDKNM-UHFFFAOYSA-N 186835 US9670157, 1 2,5-Dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1H-pyrrole-3-carboxylic acid 4-aminomethyl-benzylamide::US9834513, 1 Coagulation factor XII >10000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186835&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290252 373987407 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477285 Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1 InChI=1S/C26H28N4OS/c1-17-11-20(13-27)9-10-22(17)14-28-25(31)24-12-18(2)30(19(24)3)15-23-16-32-26(29-23)21-7-5-4-6-8-21/h4-12,16H,13-15,27H2,1-3H3,(H,28,31) LRLXLIQZQCBDLR-UHFFFAOYSA-N 186836 US9670157, 2 2,5-Dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1H-pyrrole-3-carboxylic acid 4-aminomethyl-2-methyl-benzylamide::US9834513, 2 Coagulation factor XII >10000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186836&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290253 373987408 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477289 NCc1ccc(CNC(=O)c2cn(Cc3csc(n3)-c3ccccc3)nc2C(F)(F)F)cc1 InChI=1S/C23H20F3N5OS/c24-23(25,26)20-19(21(32)28-11-16-8-6-15(10-27)7-9-16)13-31(30-20)12-18-14-33-22(29-18)17-4-2-1-3-5-17/h1-9,13-14H,10-12,27H2,(H,28,32) XKNWUHBAMSZYGY-UHFFFAOYSA-N 186917 US9670157, 83 1-(2-Phenyl-thiazol-4-ylmethyl)-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide::US9834513, 83 Coagulation factor XII >8510 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186917&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90280225 373987484 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477293 NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 InChI=1S/C25H24N4O/c26-15-19-11-13-20(14-12-19)16-27-25(30)23-18-29(17-21-7-3-1-4-8-21)28-24(23)22-9-5-2-6-10-22/h1-14,18H,15-17,26H2,(H,27,30) WADOCDNXVIYFEL-UHFFFAOYSA-N 186918 US9670157, 84 1-Benzyl-3-phenyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide::US9834513, 84 Coagulation factor XII >10000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186918&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90280333 373987485 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477294 Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1 InChI=1S/C29H35N5O/c1-19-14-32-33(16-19)17-24-6-8-25(9-7-24)18-34-22(4)12-27(23(34)5)29(35)31-15-28-20(2)10-26(13-30)11-21(28)3/h6-12,14,16H,13,15,17-18,30H2,1-5H3,(H,31,35) CRSNMWANUJQZPT-UHFFFAOYSA-N 187087 US9670157, 101 2,5-Dimethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrrole-3-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide::US9834513, 101 Coagulation factor XII >10000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187087&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290436 373987502 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477295 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4C)c(n3)C(F)(F)F)cc2)c1 InChI=1S/C26H26F4N6O/c1-16-10-33-35(12-16)13-18-3-5-19(6-4-18)14-36-15-22(24(34-36)26(28,29)30)25(37)32-11-21-8-7-20(9-31)23(27)17(21)2/h3-8,10,12,15H,9,11,13-14,31H2,1-2H3,(H,32,37) PKZHZUNPMZRBCV-UHFFFAOYSA-N 187105 US9670157, 119 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-3-fluoro-2-methyl-benzylamide::US9834513, 119 Coagulation factor XII >40000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187105&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290530 373987519 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477296 Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-15-31(30-19(24)4)14-20-6-8-25-22(11-20)7-5-18(3)29-25/h5-11,15H,12-14,27H2,1-4H3,(H,28,32) NKFYMWBVMOGCMS-UHFFFAOYSA-N 187110 US9670157, 124 3-Methyl-1-(2-methyl-quinolin-6-ylmethyl)-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide::US9834513, 124 Coagulation factor XII >40000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187110&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290565 373987522 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477297 Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-14-29-31(19(24)4)15-20-6-8-25-22(11-20)7-5-18(3)30-25/h5-11,14H,12-13,15,27H2,1-4H3,(H,28,32) SVWVNWWLYZGNGT-UHFFFAOYSA-N 187111 US9670157, 125 5-Methyl-1-(2-methyl-quinolin-6-ylmethyl)-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide::US9834513, 125 Coagulation factor XII >40000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187111&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290566 373987523 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477298 Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1 InChI=1S/C26H26F3N5O/c1-15-8-19(11-30)9-16(2)21(15)12-31-25(35)22-14-34(33-24(22)26(27,28)29)13-18-5-7-23-20(10-18)6-4-17(3)32-23/h4-10,14H,11-13,30H2,1-3H3,(H,31,35) ASPQAQDFTSKEAM-UHFFFAOYSA-N 187112 US9670157, 126 1-(2-Methyl-quinolin-6-ylmethyl)-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide::US9834513, 126 Coagulation factor XII >40000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187112&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86290567 373987524 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 477299 Cc1ccc2cc(Cn3ncc(C(=O)NCc4c(C)cc(CN)cc4C)c3C(F)(F)F)ccc2n1 InChI=1S/C26H26F3N5O/c1-15-8-19(11-30)9-16(2)21(15)12-31-25(35)22-13-32-34(24(22)26(27,28)29)14-18-5-7-23-20(10-18)6-4-17(3)33-23/h4-10,13H,11-12,14,30H2,1-3H3,(H,31,35) VJTIBJURDVORHW-UHFFFAOYSA-N 187113 US9670157, 127 1-(2-Methyl-quinolin-6-ylmethyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide::US9834513, 127 Coagulation factor XII >40000 US Patent 10.7270/Q2F769QG aid1795026 US9670157 Allan, CE; Batt, AR; Davie, RL; Edwards, HJ; Evans, DM; Pethen, SJ Kalvista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=187113&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 90280088 373987525 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50551362 Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2- ZVYLYYBRLJOHMS-RQOWECAXSA-N 50210073 CHEMBL3883461 Coagulation factor XII >200000 ChEMBL 10.1021/acsmedchemlett.6b00384 10.7270/Q2DB83V8 28197309 Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L Global Blood Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210073&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134131084 375982546 CHEMBL3883461 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50551367 Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+ OSLSJEGJCLYVFN-NSCUHMNNSA-N 50210074 CHEMBL3883423 Coagulation factor XII >200000 ChEMBL 10.1021/acsmedchemlett.6b00384 10.7270/Q2DB83V8 28197309 Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L Global Blood Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210074&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134131077 375982547 CHEMBL3883423 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50551378 Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30) WWJLNLGOEPGLIB-UHFFFAOYSA-N 50210072 CHEMBL3884830 Coagulation factor XII >1000000 ChEMBL 10.1021/acsmedchemlett.6b00384 10.7270/Q2DB83V8 28197309 Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L Global Blood Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210072&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134130781 375982545 CHEMBL3884830 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50551379 Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+ ZVYLYYBRLJOHMS-DUXPYHPUSA-N 50210127 CHEMBL3884851 Coagulation factor XII >200000 ChEMBL 10.1021/acsmedchemlett.6b00384 10.7270/Q2DB83V8 28197309 Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L Global Blood Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210127&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search GBT 5TJX 134131589 375982551 CHEMBL3884851 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50551386 Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37) ZVYLYYBRLJOHMS-UHFFFAOYSA-N 50210075 CHEMBL3883788 Coagulation factor XII >200000 ChEMBL 10.1021/acsmedchemlett.6b00384 10.7270/Q2DB83V8 28197309 Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L Global Blood Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210075&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search GBT 5TJX 134131303 375982548 CHEMBL3883788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677308 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C\C=C\c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C95H150N34O19S3/c1-53(2)43-66-84(141)115-64(27-15-38-112-95(106)107)82(139)124-70(86(143)118-63(26-14-37-111-94(104)105)81(138)122-68(90(147)148)45-56-46-113-59-22-9-8-20-57(56)59)48-150-41-32-75(132)127-50-126-51-128(52-127)76(133)33-42-151-49-71(87(144)117-61(24-12-35-109-92(100)101)79(136)119-65(83(140)120-66)29-30-73(97)130)125-88(145)72-28-16-39-129(72)89(146)67(44-54(3)4)121-80(137)62(25-13-36-110-93(102)103)114-78(135)60(23-10-19-55-17-6-5-7-18-55)116-85(142)69(47-149-40-31-74(126)131)123-77(134)58(96)21-11-34-108-91(98)99/h5-10,17-20,22,46,53-54,58,60-72,113H,11-16,21,23-45,47-52,96H2,1-4H3,(H2,97,130)(H,114,135)(H,115,141)(H,116,142)(H,117,144)(H,118,143)(H,119,136)(H,120,140)(H,121,137)(H,122,138)(H,123,134)(H,124,139)(H,125,145)(H,147,148)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/b19-10+/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 PXPWDHYNQVYUAI-HRUBHYFGSA-N 50230022 CHEMBL4077206 Coagulation factor XII 114 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230022&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137651447 383542907 CHEMBL4077206 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677332 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H138N32O18S3/c1-45(2)36-54-70(124)100-51(19-11-30-98-81(91)92)68(122)109-58(73(127)104-53(77(131)132)20-12-31-99-82(93)94)40-134-34-25-63(117)112-42-111-43-113(44-112)64(118)26-35-135-41-59(72(126)102-49(17-9-28-96-79(87)88)66(120)103-52(69(123)105-54)22-23-61(84)115)110-75(129)60-21-13-32-114(60)76(130)56(37-46(3)4)107-67(121)50(18-10-29-97-80(89)90)101-71(125)55(38-47-14-6-5-7-15-47)106-74(128)57(39-133-33-24-62(111)116)108-65(119)48(83)16-8-27-95-78(85)86/h5-7,14-15,45-46,48-60H,8-13,16-44,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+/m1/s1 PAROXNZLJADTLW-MBGFESNKSA-N 50229989 CHEMBL4084518 Coagulation factor XII 34 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229989&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137647034 383542892 CHEMBL4084518 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677338 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C94H150N34O19S3/c1-52(2)41-64-87(145)128-37-16-26-70(128)86(144)124-69-48-150-40-31-74(132)127-50-125(72(130)29-38-148-46-67(122-75(133)56(95)20-11-32-107-89(97)98)85(143)118-63(42-53-17-7-6-8-18-53)81(139)113-59(77(135)119-64)23-13-34-109-91(101)102)49-126(51-127)73(131)30-39-149-47-68(83(141)116-60(24-14-35-110-92(103)104)78(136)120-65(88(146)147)43-54-45-112-57-21-10-9-19-55(54)57)123-79(137)61(25-15-36-111-93(105)106)114-82(140)66(44-94(3,4)5)121-80(138)62(27-28-71(96)129)117-76(134)58(115-84(69)142)22-12-33-108-90(99)100/h6-10,17-19,21,45,52,56,58-70,112H,11-16,20,22-44,46-51,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,143)(H,119,135)(H,120,136)(H,121,138)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 VNKDCNAYUNYSKN-DTWYIHJYSA-N 50230018 CHEMBL4084044 Coagulation factor XII 18 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230018&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648441 383542903 CHEMBL4084044 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677345 CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H137N29O18S3/c1-7-47(6)65(84)76(126)107-59-41-132-35-27-64(115)110-43-108-42-109(44-110)63(114)26-34-131-40-58(106-75(125)60-22-15-32-111(60)77(127)56(37-46(4)5)104-67(117)50(19-12-29-94-80(87)88)98-71(121)55(103-74(59)124)38-48-16-9-8-10-17-48)72(122)99-49(18-11-28-93-79(85)86)66(116)100-52(23-24-61(83)112)69(119)102-54(36-45(2)3)70(120)97-51(20-13-30-95-81(89)90)68(118)105-57(39-130-33-25-62(108)113)73(123)101-53(78(128)129)21-14-31-96-82(91)92/h8-10,16-17,45-47,49-60,65H,7,11-15,18-44,84H2,1-6H3,(H2,83,112)(H,97,120)(H,98,121)(H,99,122)(H,100,116)(H,101,123)(H,102,119)(H,103,124)(H,104,117)(H,105,118)(H,106,125)(H,107,126)(H,128,129)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1 ANWFMSNEFQHMHF-NYZNZKEXSA-N 50229990 CHEMBL4101795 Coagulation factor XII 83 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229990&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137661270 383542893 CHEMBL4101795 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677360 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C91H146N34O20S3/c1-49(2)37-61-79(137)110-59(23-14-33-108-91(102)103)77(135)121-67(83(141)113-58(22-13-32-107-90(100)101)76(134)118-64(86(144)145)40-52-41-109-55-19-9-8-17-53(52)55)44-147-35-27-71(129)124-46-123-47-125(48-124)72(130)28-36-148-45-68(84(142)112-56(20-11-30-105-88(96)97)74(132)114-60(78(136)116-61)24-25-69(93)127)122-82(140)65(42-126)119-80(138)62(38-50(3)4)115-75(133)57(21-12-31-106-89(98)99)111-81(139)63(39-51-15-6-5-7-16-51)117-85(143)66(43-146-34-26-70(123)128)120-73(131)54(92)18-10-29-104-87(94)95/h5-9,15-17,19,41,49-50,54,56-68,109,126H,10-14,18,20-40,42-48,92H2,1-4H3,(H2,93,127)(H,110,137)(H,111,139)(H,112,142)(H,113,141)(H,114,132)(H,115,133)(H,116,136)(H,117,143)(H,118,134)(H,119,138)(H,120,131)(H,121,135)(H,122,140)(H,144,145)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 BPEARLUWKKDPJB-UGPGGNGJSA-N 50230020 CHEMBL4062902 Coagulation factor XII 29 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230020&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137634384 383542905 CHEMBL4062902 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677364 CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O19S4/c1-51(2)41-64-86(143)126-36-14-24-69(126)85(142)122-68-47-149-40-30-73(130)125-49-123(71(128)28-38-147-45-66(120-74(131)55(93)18-9-31-105-88(95)96)84(141)117-63(42-52-15-5-4-6-16-52)81(138)112-58(76(133)118-64)21-11-33-107-90(99)100)48-124(50-125)72(129)29-39-148-46-67(82(139)114-59(22-12-34-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-19-8-7-17-54(53)56)121-78(135)60(23-13-35-109-92(103)104)111-80(137)62(27-37-146-3)116-79(136)61(25-26-70(94)127)115-75(132)57(113-83(68)140)20-10-32-106-89(97)98/h4-8,15-17,19,44,51,55,57-69,110H,9-14,18,20-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,136)(H,117,141)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 LPLMZCFHJVRLSY-DTHCQXTISA-N 50230021 CHEMBL4093432 Coagulation factor XII 143 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230021&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137655164 383542906 CHEMBL4093432 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677366 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C90H150N34O19S3/c1-48(2)37-60-78(135)110-58(21-13-32-107-90(101)102)76(133)119-65(80(137)112-57(20-12-31-106-89(99)100)75(132)117-63(85(142)143)40-51-41-108-54-17-8-7-15-52(51)54)43-145-35-26-70(127)122-45-121-46-123(47-122)71(128)27-36-146-44-66(81(138)111-55(18-10-29-104-87(95)96)73(130)113-59(77(134)114-60)23-24-68(92)125)120-83(140)67-22-14-33-124(67)84(141)62(39-50(5)6)116-74(131)56(19-11-30-105-88(97)98)109-79(136)61(38-49(3)4)115-82(139)64(42-144-34-25-69(121)126)118-72(129)53(91)16-9-28-103-86(93)94/h7-8,15,17,41,48-50,53,55-67,108H,9-14,16,18-40,42-47,91H2,1-6H3,(H2,92,125)(H,109,136)(H,110,135)(H,111,138)(H,112,137)(H,113,130)(H,114,134)(H,115,139)(H,116,131)(H,117,132)(H,118,129)(H,119,133)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 SWAGMALDHAULQH-FEGNYBJTSA-N 50229994 CHEMBL4095870 Coagulation factor XII 28 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229994&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137654809 383542896 CHEMBL4095870 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677367 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccncc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H147N35O19S3/c1-50(2)39-62-80(138)112-60(19-11-32-110-92(103)104)78(136)122-67(82(140)115-59(18-10-31-109-91(101)102)77(135)120-65(87(145)146)42-53-43-111-56-15-6-5-13-54(53)56)45-148-37-26-72(130)125-47-124-48-126(49-125)73(131)27-38-149-46-68(83(141)114-57(16-8-29-107-89(97)98)75(133)116-61(79(137)117-62)21-22-70(94)128)123-85(143)69-20-12-35-127(69)86(144)64(40-51(3)4)119-76(134)58(17-9-30-108-90(99)100)113-81(139)63(41-52-23-33-105-34-24-52)118-84(142)66(44-147-36-25-71(124)129)121-74(132)55(93)14-7-28-106-88(95)96/h5-6,13,15,23-24,33-34,43,50-51,55,57-69,111H,7-12,14,16-22,25-32,35-42,44-49,93H2,1-4H3,(H2,94,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 JLUOXLCOHVBMLM-DTHCQXTISA-N 50230019 CHEMBL4085018 Coagulation factor XII 57 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230019&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137647579 383542904 CHEMBL4085018 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677368 CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C92H146N34O19S4/c1-51(2)41-63-80(137)111-60(23-13-35-109-92(103)104)78(135)121-67(82(139)114-59(22-12-34-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-19-8-7-17-54(53)56)46-148-39-29-72(129)124-48-123-49-125(50-124)73(130)30-40-149-47-68(83(140)113-57(20-10-32-106-89(97)98)75(132)115-61(79(136)117-63)25-26-70(94)127)122-85(142)69-24-14-36-126(69)86(143)62(27-37-146-3)116-76(133)58(21-11-33-107-90(99)100)112-81(138)64(42-52-15-5-4-6-16-52)118-84(141)66(45-147-38-28-71(123)128)120-74(131)55(93)18-9-31-105-88(95)96/h4-8,15-17,19,44,51,55,57-69,110H,9-14,18,20-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,133)(H,117,136)(H,118,141)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 NEJLDOWHUCJQIV-DTHCQXTISA-N 50230016 CHEMBL4060168 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230016&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137637712 383542901 CHEMBL4060168 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677369 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C97H150N34O19S3/c1-53(2)42-67-85(142)116-65(26-14-37-114-97(108)109)83(140)126-72(87(144)119-64(25-13-36-113-96(106)107)82(139)124-70(92(149)150)45-57-46-115-61-22-8-7-20-59(57)61)48-152-40-31-77(134)129-50-128-51-130(52-129)78(135)32-41-153-49-73(88(145)118-62(23-11-34-111-94(102)103)80(137)120-66(84(141)121-67)28-29-75(99)132)127-90(147)74-27-15-38-131(74)91(148)69(43-54(3)4)123-81(138)63(24-12-35-112-95(104)105)117-86(143)68(44-56-18-9-17-55-16-5-6-19-58(55)56)122-89(146)71(47-151-39-30-76(128)133)125-79(136)60(98)21-10-33-110-93(100)101/h5-9,16-20,22,46,53-54,60,62-74,115H,10-15,21,23-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 CWWCSKKQDAPNIR-IBIYWHNXSA-N 50229992 CHEMBL4080261 Coagulation factor XII 10 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229992&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648057 383542895 CHEMBL4080261 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677371 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-52(2)42-65-83(140)114-62(24-14-37-111-94(105)106)80(137)123-69(85(142)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(86(143)115-59(21-11-34-108-91(99)100)77(134)117-64(82(139)119-65)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(43-53(3)4)120-78(135)60(22-12-35-109-92(101)102)113-81(138)63(27-26-54-16-6-5-7-17-54)118-84(141)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,143)(H,116,142)(H,117,134)(H,118,141)(H,119,139)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 XBQFKFZBRIERNC-WDMUSLQMSA-N 50230017 CHEMBL4084734 Coagulation factor XII 366 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230017&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137646132 383542902 CHEMBL4084734 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677372 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C97H148N34O19S3/c1-53(2)41-66-84(141)116-64(22-13-36-113-96(106)107)82(139)126-72(87(144)118-63(21-12-35-112-95(104)105)81(138)124-70(92(149)150)45-57-46-114-61-19-9-8-17-59(57)61)48-152-39-31-77(134)129-50-128-51-130(52-129)78(135)32-40-153-49-73(88(145)117-62(20-11-34-111-94(102)103)80(137)119-65(83(140)120-66)28-29-75(99)132)127-90(147)74-23-14-37-131(74)91(148)69(42-54(3)4)123-86(143)68(44-56-24-26-58(27-25-56)115-97(108)109)121-85(142)67(43-55-15-6-5-7-16-55)122-89(146)71(47-151-38-30-76(128)133)125-79(136)60(98)18-10-33-110-93(100)101/h5-9,15-17,19,24-27,46,53-54,60,62-74,114H,10-14,18,20-23,28-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,141)(H,117,145)(H,118,144)(H,119,137)(H,120,140)(H,121,142)(H,122,146)(H,123,143)(H,124,138)(H,125,136)(H,126,139)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,115)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 VYNOCVBZSICRML-IBIYWHNXSA-N 50230026 CHEMBL4090965 Coagulation factor XII 380 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230026&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137644742 383542911 CHEMBL4090965 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677373 CCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C93H148N34O19S3/c1-4-5-21-63-87(144)127-38-16-27-70(127)86(143)123-69-48-149-41-32-74(131)126-50-124(72(129)30-39-147-46-67(121-75(132)56(94)20-11-33-106-89(96)97)85(142)119-65(43-53-17-7-6-8-18-53)82(139)113-59(77(134)117-63)24-13-35-108-91(100)101)49-125(51-126)73(130)31-40-148-47-68(83(140)115-60(25-14-36-109-92(102)103)78(135)120-66(88(145)146)44-54-45-111-57-22-10-9-19-55(54)57)122-79(136)61(26-15-37-110-93(104)105)112-81(138)64(42-52(2)3)118-80(137)62(28-29-71(95)128)116-76(133)58(114-84(69)141)23-12-34-107-90(98)99/h6-10,17-19,22,45,52,56,58-70,111H,4-5,11-16,20-21,23-44,46-51,94H2,1-3H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,134)(H,118,137)(H,119,142)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 BEJPMUSNFFUEAM-DTWYIHJYSA-N 50229999 CHEMBL4086594 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229999&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137641763 383542900 CHEMBL4086594 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677394 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C81H136N32O18S3/c1-44(2)35-53-69(123)99-50(17-10-28-96-79(88)89)67(121)108-57(72(126)103-52(76(130)131)18-11-29-97-80(90)91)39-133-33-24-62(116)111-41-110-42-112(43-111)63(117)25-34-134-40-58(71(125)101-48(15-8-26-94-77(84)85)65(119)102-51(68(122)104-53)20-21-60(83)114)109-74(128)59-19-12-31-113(59)75(129)55(36-45(3)4)106-66(120)49(16-9-27-95-78(86)87)100-70(124)54(37-46-13-6-5-7-14-46)105-73(127)56(38-132-32-23-61(110)115)107-64(118)47(82)22-30-98-81(92)93/h5-7,13-14,44-45,47-59H,8-12,15-43,82H2,1-4H3,(H2,83,114)(H,99,123)(H,100,124)(H,101,125)(H,102,119)(H,103,126)(H,104,122)(H,105,127)(H,106,120)(H,107,118)(H,108,121)(H,109,128)(H,130,131)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+/m1/s1 LGQLNWQEQFHRAS-QAMFFSONSA-N 50230023 CHEMBL4094726 Coagulation factor XII 14 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230023&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137653317 383542908 CHEMBL4094726 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677406 CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147N33O20S3/c1-51(2)40-63-81(138)111-61(24-14-35-109-93(103)104)79(136)121-68(83(140)114-60(23-13-34-108-92(101)102)78(135)119-66(88(145)146)43-54-44-110-57-20-9-8-18-55(54)57)46-148-38-29-72(128)124-48-123-49-125(50-124)73(129)30-39-149-47-69(84(141)113-58(21-11-32-106-90(97)98)76(133)115-62(80(137)116-63)26-27-74(130)131)122-86(143)70-25-15-36-126(70)87(144)65(41-52(3)4)118-77(134)59(22-12-33-107-91(99)100)112-82(139)64(42-53-16-6-5-7-17-53)117-85(142)67(45-147-37-28-71(123)127)120-75(132)56(94)19-10-31-105-89(95)96/h5-9,16-18,20,44,51-52,56,58-70,110H,10-15,19,21-43,45-50,94H2,1-4H3,(H,111,138)(H,112,139)(H,113,141)(H,114,140)(H,115,133)(H,116,137)(H,117,142)(H,118,134)(H,119,135)(H,120,132)(H,121,136)(H,122,143)(H,130,131)(H,145,146)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 UBJOVZMDGYQOMA-DTWYIHJYSA-N 50229988 CHEMBL4063854 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229988&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137635114 383542891 CHEMBL4063854 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677426 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O21S3/c1-49(2)37-61-80(139)111-59(23-14-33-109-92(103)104)78(137)122-67(84(143)114-58(22-13-32-108-91(101)102)77(136)120-65(87(146)147)40-52-42-110-55-19-9-8-17-53(52)55)44-149-35-27-71(129)125-46-124-47-126(48-125)72(130)28-36-150-45-68(85(144)113-56(20-11-30-106-89(97)98)75(134)115-60(79(138)117-61)24-25-69(94)127)123-83(142)64(41-73(131)132)119-81(140)62(38-50(3)4)116-76(135)57(21-12-31-107-90(99)100)112-82(141)63(39-51-15-6-5-7-16-51)118-86(145)66(43-148-34-26-70(124)128)121-74(133)54(93)18-10-29-105-88(95)96/h5-9,15-17,19,42,49-50,54,56-68,110H,10-14,18,20-41,43-48,93H2,1-4H3,(H2,94,127)(H,111,139)(H,112,141)(H,113,144)(H,114,143)(H,115,134)(H,116,135)(H,117,138)(H,118,145)(H,119,140)(H,120,136)(H,121,133)(H,122,137)(H,123,142)(H,131,132)(H,146,147)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 GXGKPVBYWWNYDE-UGPGGNGJSA-N 50229995 CHEMBL4069735 Coagulation factor XII 120 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229995&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137640117 383542897 CHEMBL4069735 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677432 CC[C@H](C)[C@@H]1NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C90H150N34O19S3/c1-7-50(6)71-83(140)113-58(22-14-33-107-90(101)102)74(131)115-61(39-49(4)5)84(141)124-34-15-23-66(124)82(139)119-64-43-145-36-27-69(127)122-45-121(46-123(47-122)70(128)28-37-146-44-65(81(138)120-71)117-72(129)53(91)17-10-29-103-86(93)94)68(126)26-35-144-42-63(79(136)111-56(20-12-31-105-88(97)98)75(132)116-62(85(142)143)40-51-41-108-54-18-9-8-16-52(51)54)118-76(133)57(21-13-32-106-89(99)100)109-78(135)60(38-48(2)3)114-77(134)59(24-25-67(92)125)112-73(130)55(110-80(64)137)19-11-30-104-87(95)96/h8-9,16,18,41,48-50,53,55-66,71,108H,7,10-15,17,19-40,42-47,91H2,1-6H3,(H2,92,125)(H,109,135)(H,110,137)(H,111,136)(H,112,130)(H,113,140)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,133)(H,119,139)(H,120,138)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-/m0/s1 ZEWGUZQUUOVDHC-SPXKTSSHSA-N 50230025 CHEMBL4080287 Coagulation factor XII 310 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230025&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648748 383542910 CHEMBL4080287 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677438 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)CCSC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2 InChI=1S/C76H126N28O17S3/c1-42(2)33-51-66(114)91-48(17-10-27-89-75(83)84)64(112)99-54(69(117)95-50(72(120)121)18-11-28-90-76(85)86)37-123-31-23-59(107)102-39-101-40-103(41-102)60(108)24-32-124-38-55(68(116)93-46(15-8-25-87-73(79)80)62(110)94-49(65(113)97-51)20-21-57(78)105)100-70(118)56-19-12-29-104(56)71(119)53(34-43(3)4)98-63(111)47(16-9-26-88-74(81)82)92-67(115)52(35-44-13-6-5-7-14-44)96-61(109)45(77)36-122-30-22-58(101)106/h5-7,13-14,42-43,45-56H,8-12,15-41,77H2,1-4H3,(H2,78,105)(H,91,114)(H,92,115)(H,93,116)(H,94,110)(H,95,117)(H,96,109)(H,97,113)(H,98,111)(H,99,112)(H,100,118)(H,120,121)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 LBIQJILPOXSRLV-DMJQPPRDSA-N 50229991 CHEMBL4068630 Coagulation factor XII 330 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229991&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137633108 383542894 CHEMBL4068630 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677452 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(I)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147IN34O19S3/c1-50(2)39-63-81(139)113-61(19-11-34-111-93(105)106)79(137)123-68(83(141)116-60(18-10-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-15-6-5-13-55(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(16-8-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-20-12-35-128(70)87(145)65(40-51(3)4)120-77(135)59(17-9-32-109-91(101)102)114-82(140)64(41-52-21-23-54(94)24-22-52)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)14-7-30-107-89(97)98/h5-6,13,15,21-24,43,50-51,56,58-70,112H,7-12,14,16-20,25-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 LXMWUTUFWUVIDK-DTWYIHJYSA-N 50230024 CHEMBL4080363 Coagulation factor XII 92 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230024&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648060 383542909 CHEMBL4080363 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677456 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H148N34O19S3/c1-51(2)40-63-81(138)112-61(24-14-35-110-93(104)105)79(136)122-68(83(140)115-60(23-13-34-109-92(102)103)78(135)120-66(88(145)146)43-54-44-111-57-20-9-8-18-55(54)57)46-148-38-29-73(130)125-48-124-49-126(50-125)74(131)30-39-149-47-69(84(141)114-58(21-11-32-107-90(98)99)76(133)116-62(80(137)117-63)26-27-71(95)128)123-86(143)70-25-15-36-127(70)87(144)65(41-52(3)4)119-77(134)59(22-12-33-108-91(100)101)113-82(139)64(42-53-16-6-5-7-17-53)118-85(142)67(45-147-37-28-72(124)129)121-75(132)56(94)19-10-31-106-89(96)97/h5-9,16-18,20,44,51-52,56,58-70,111H,10-15,19,21-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 GJOSHSLLEIZUNN-DTWYIHJYSA-N 50229996 CHEMBL4066341 Coagulation factor XII 10 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229996&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137632250 383542898 CHEMBL4066341 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677464 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-51(2)39-64-82(139)113-62(23-13-34-111-94(105)106)80(137)123-69(84(141)116-61(22-12-33-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-19-7-6-17-56(55)58)46-149-37-28-74(131)126-48-125-49-127(50-126)75(132)29-38-150-47-70(85(142)115-59(20-10-31-108-91(99)100)77(134)117-63(81(138)118-64)25-26-72(96)129)124-87(144)71-24-14-35-128(71)88(145)66(40-52(3)4)120-78(135)60(21-11-32-109-92(101)102)114-83(140)65(42-54-16-8-15-53(5)41-54)119-86(143)68(45-148-36-27-73(125)130)122-76(133)57(95)18-9-30-107-90(97)98/h6-8,15-17,19,41,44,51-52,57,59-71,112H,9-14,18,20-40,42-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 LEHJRCDGBACHDX-WDMUSLQMSA-N 50229997 CHEMBL4065450 Coagulation factor XII 3.7 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229997&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137632405 383542899 CHEMBL4065450 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677110 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C81H135N29O18S3/c1-44(2)35-53-69(119)96-50(19-12-29-94-80(88)89)67(117)104-56(72(122)100-52(77(127)128)20-13-30-95-81(90)91)38-129-32-24-61(112)107-41-108-43-109(42-107)63(114)26-34-131-40-58(106-75(125)64(83)46(5)6)73(123)102-54(37-47-15-8-7-9-16-47)70(120)97-49(18-11-28-93-79(86)87)66(116)103-55(36-45(3)4)76(126)110-31-14-21-59(110)74(124)105-57(39-130-33-25-62(108)113)71(121)98-48(17-10-27-92-78(84)85)65(115)99-51(68(118)101-53)22-23-60(82)111/h7-9,15-16,44-46,48-59,64H,10-14,17-43,83H2,1-6H3,(H2,82,111)(H,96,119)(H,97,120)(H,98,121)(H,99,115)(H,100,122)(H,101,118)(H,102,123)(H,103,116)(H,104,117)(H,105,124)(H,106,125)(H,127,128)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1 YDGBIBZZLWVYGU-BICFUCFPSA-N 50229732 CHEMBL4083791 Coagulation factor XII 99 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229732&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648432 383542840 CHEMBL4083791 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677112 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C79H131N29O18S3/c1-43(2)34-52-68(118)94-49(18-11-28-92-78(86)87)66(116)103-56(71(121)98-51(75(125)126)19-12-29-93-79(88)89)38-128-32-24-61(111)106-40-105-41-107(42-106)62(112)25-33-129-39-57(70(120)96-47(16-9-26-90-76(82)83)64(114)97-50(67(117)99-52)21-22-59(81)109)104-73(123)58-20-13-30-108(58)74(124)54(35-44(3)4)101-65(115)48(17-10-27-91-77(84)85)95-69(119)53(36-46-14-7-6-8-15-46)100-72(122)55(102-63(113)45(5)80)37-127-31-23-60(105)110/h6-8,14-15,43-45,47-58H,9-13,16-42,80H2,1-5H3,(H2,81,109)(H,94,118)(H,95,119)(H,96,120)(H,97,114)(H,98,121)(H,99,117)(H,100,122)(H,101,115)(H,102,113)(H,103,116)(H,104,123)(H,125,126)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 SDPOWUXBUPSFJD-ZFTOESBASA-N 50229733 CHEMBL4092261 Coagulation factor XII 59 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229733&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137655346 383542841 CHEMBL4092261 C03803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677119 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H138N30O18S3/c1-46(2)37-55-71(122)98-52(20-12-31-96-81(90)91)69(120)107-59(74(125)102-54(78(129)130)21-13-32-97-82(92)93)41-132-35-26-64(115)110-43-109-44-111(45-110)65(116)27-36-133-42-60(73(124)100-50(18-10-29-94-79(86)87)67(118)101-53(70(121)103-55)23-24-62(85)113)108-76(127)61-22-14-33-112(61)77(128)57(38-47(3)4)105-68(119)51(19-11-30-95-80(88)89)99-72(123)56(39-48-15-6-5-7-16-48)104-75(126)58(40-131-34-25-63(109)114)106-66(117)49(84)17-8-9-28-83/h5-7,15-16,46-47,49-61H,8-14,17-45,83-84H2,1-4H3,(H2,85,113)(H,98,122)(H,99,123)(H,100,124)(H,101,118)(H,102,125)(H,103,121)(H,104,126)(H,105,119)(H,106,117)(H,107,120)(H,108,127)(H,129,130)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 RGOPCYSWTLYEKK-FTNAAAGFSA-N 50229734 CHEMBL4064568 Coagulation factor XII 9.0 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229734&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137637409 383542842 CHEMBL4064568 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677120 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C83H140N30O18S3/c1-47(2)38-56-72(123)99-53(21-13-32-97-82(91)92)70(121)108-60(75(126)103-55(79(130)131)22-14-33-98-83(93)94)42-133-36-27-65(116)111-44-110-45-112(46-111)66(117)28-37-134-43-61(74(125)101-51(19-11-30-95-80(87)88)68(119)102-54(71(122)104-56)24-25-63(86)114)109-77(128)62-23-15-34-113(62)78(129)58(39-48(3)4)106-69(120)52(20-12-31-96-81(89)90)100-73(124)57(40-49-16-7-5-8-17-49)105-76(127)59(41-132-35-26-64(110)115)107-67(118)50(85)18-9-6-10-29-84/h5,7-8,16-17,47-48,50-62H,6,9-15,18-46,84-85H2,1-4H3,(H2,86,114)(H,99,123)(H,100,124)(H,101,125)(H,102,119)(H,103,126)(H,104,122)(H,105,127)(H,106,120)(H,107,118)(H,108,121)(H,109,128)(H,130,131)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+/m1/s1 XMNQDGAGOFHONI-PBOXVFBZSA-N 50229735 CHEMBL4102477 Coagulation factor XII 6.5 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229735&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137659899 383542843 CHEMBL4102477 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677121 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C83H140N32O18S3/c1-46(2)37-55-71(125)101-52(20-12-31-99-82(92)93)69(123)110-59(74(128)105-54(78(132)133)21-13-32-100-83(94)95)41-135-35-26-64(118)113-43-112-44-114(45-113)65(119)27-36-136-42-60(73(127)103-50(18-10-29-97-80(88)89)67(121)104-53(70(124)106-55)23-24-62(85)116)111-76(130)61-22-14-33-115(61)77(131)57(38-47(3)4)108-68(122)51(19-11-30-98-81(90)91)102-72(126)56(39-48-15-6-5-7-16-48)107-75(129)58(40-134-34-25-63(112)117)109-66(120)49(84)17-8-9-28-96-79(86)87/h5-7,15-16,46-47,49-61H,8-14,17-45,84H2,1-4H3,(H2,85,116)(H,101,125)(H,102,126)(H,103,127)(H,104,121)(H,105,128)(H,106,124)(H,107,129)(H,108,122)(H,109,120)(H,110,123)(H,111,130)(H,132,133)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+/m1/s1 XMFXXXBHZFJGDV-LNPBERGLSA-N 50229736 CHEMBL4074219 Coagulation factor XII 8.8 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229736&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137640818 383542844 CHEMBL4074219 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677123 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C86H138N32O18S3/c1-47(2)37-58-74(128)104-55(17-10-31-101-84(93)94)72(126)113-62(77(131)108-57(81(135)136)18-11-32-102-85(95)96)42-138-35-27-67(121)116-44-115-45-117(46-116)68(122)28-36-139-43-63(76(130)106-53(15-8-29-99-82(89)90)70(124)107-56(73(127)109-58)24-25-65(88)119)114-79(133)64-19-12-33-118(64)80(134)60(38-48(3)4)111-71(125)54(16-9-30-100-83(91)92)105-75(129)59(40-49-13-6-5-7-14-49)110-78(132)61(41-137-34-26-66(115)120)112-69(123)52(87)39-50-20-22-51(23-21-50)103-86(97)98/h5-7,13-14,20-23,47-48,52-64H,8-12,15-19,24-46,87H2,1-4H3,(H2,88,119)(H,104,128)(H,105,129)(H,106,130)(H,107,124)(H,108,131)(H,109,127)(H,110,132)(H,111,125)(H,112,123)(H,113,126)(H,114,133)(H,135,136)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1 QXXDEOMKWMYJRW-QMFTZTDLSA-N 50229737 CHEMBL4065597 Coagulation factor XII 15 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229737&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137631665 383542845 CHEMBL4065597 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677124 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C81H135FN32O18S3/c1-43(2)34-53-69(124)100-50(12-7-27-97-79(89)90)67(122)109-57(72(127)104-52(76(131)132)13-8-28-98-80(91)92)38-134-32-23-62(117)112-40-111-41-113(42-112)63(118)24-33-135-39-58(71(126)102-48(10-5-25-95-77(85)86)65(120)103-51(68(123)105-53)19-20-60(84)115)110-74(129)59-14-9-30-114(59)75(130)55(35-44(3)4)107-66(121)49(11-6-26-96-78(87)88)101-70(125)54(36-45-15-17-46(82)18-16-45)106-73(128)56(37-133-31-22-61(111)116)108-64(119)47(83)21-29-99-81(93)94/h15-18,43-44,47-59H,5-14,19-42,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 SBHHAJOLSBKKBX-JWKNPDOPSA-N 50229738 CHEMBL4087027 Coagulation factor XII 1.6 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229738&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137644829 383542846 CHEMBL4087027 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677126 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C90H142N34O19S3/c1-49(2)39-62-84(141)124-35-14-24-67(124)83(140)120-66-45-146-38-29-71(128)123-47-121(69(126)27-36-144-43-64(118-73(130)54(91)18-9-30-103-86(93)94)82(139)115-61(40-51-15-5-4-6-16-51)79(136)111-58(76(133)116-62)22-12-33-106-89(99)100)46-122(48-123)70(127)28-37-145-44-65(80(137)113-59(23-13-34-107-90(101)102)77(134)117-63(85(142)143)41-52-42-108-55-19-8-7-17-53(52)55)119-78(135)56(20-10-31-104-87(95)96)110-72(129)50(3)109-74(131)60(25-26-68(92)125)114-75(132)57(112-81(66)138)21-11-32-105-88(97)98/h4-8,15-17,19,42,49-50,54,56-67,108H,9-14,18,20-41,43-48,91H2,1-3H3,(H2,92,125)(H,109,131)(H,110,129)(H,111,136)(H,112,138)(H,113,137)(H,114,132)(H,115,139)(H,116,133)(H,117,134)(H,118,130)(H,119,135)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 DVLAEBFALZCRLQ-VCJMGQFNSA-N 50229739 CHEMBL4074440 Coagulation factor XII 1040 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229739&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137641248 383542847 CHEMBL4074440 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677127 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H156N34O19S3/c1-52(2)42-65-83(140)114-62(24-14-37-111-94(105)106)80(137)123-69(85(142)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(86(143)115-59(21-11-34-108-91(99)100)77(134)117-64(82(139)119-65)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(43-53(3)4)120-78(135)60(22-12-35-109-92(101)102)113-81(138)63(27-26-54-16-6-5-7-17-54)118-84(141)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h8-9,18,20,45,52-54,57,59-71,112H,5-7,10-17,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,143)(H,116,142)(H,117,134)(H,118,141)(H,119,139)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 OMNKGCMYRVQDAN-WDMUSLQMSA-N 50229740 CHEMBL4101181 Coagulation factor XII 290 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229740&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137659854 383542848 CHEMBL4101181 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677128 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C97H156N34O19S3/c1-53(2)42-66-84(142)116-64(22-14-37-114-96(108)109)82(140)126-71(86(144)119-63(21-13-36-113-95(106)107)81(139)124-69(91(149)150)45-56-46-115-60-18-9-8-16-58(56)60)48-152-40-31-76(134)129-50-128-51-130(52-129)77(135)32-41-153-49-72(87(145)118-61(19-11-34-111-93(102)103)79(137)120-65(83(141)121-66)28-29-74(99)132)127-89(147)73-23-15-38-131(73)90(148)68(43-54(3)4)123-80(138)62(20-12-35-112-94(104)105)117-85(143)67(44-55-24-26-57(27-25-55)97(5,6)7)122-88(146)70(47-151-39-30-75(128)133)125-78(136)59(98)17-10-33-110-92(100)101/h8-9,16,18,24-27,46,53-54,59,61-73,115H,10-15,17,19-23,28-45,47-52,98H2,1-7H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 BHUBQFQUBLVLCI-YQNYRYSNSA-N 50229741 CHEMBL4063076 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229741&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137635297 383542849 CHEMBL4063076 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677129 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C99H152N34O19S3/c1-55(2)44-69-87(144)118-67(24-14-39-116-99(110)111)85(142)128-74(89(146)121-66(23-13-38-115-98(108)109)84(141)126-72(94(151)152)47-60-48-117-63-20-9-8-18-61(60)63)50-154-42-33-79(136)131-52-130-53-132(54-131)80(137)34-43-155-51-75(90(147)120-64(21-11-36-113-96(104)105)82(139)122-68(86(143)123-69)30-31-77(101)134)129-92(149)76-25-15-40-133(76)93(150)71(45-56(3)4)125-83(140)65(22-12-37-114-97(106)107)119-88(145)70(46-57-26-28-59(29-27-57)58-16-6-5-7-17-58)124-91(148)73(49-153-41-32-78(130)135)127-81(138)62(100)19-10-35-112-95(102)103/h5-9,16-18,20,26-29,48,55-56,62,64-76,117H,10-15,19,21-25,30-47,49-54,100H2,1-4H3,(H2,101,134)(H,118,144)(H,119,145)(H,120,147)(H,121,146)(H,122,139)(H,123,143)(H,124,148)(H,125,140)(H,126,141)(H,127,138)(H,128,142)(H,129,149)(H,151,152)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)/t62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1 MUGUFZQUZLPAPP-CTXPUWHKSA-N 50229742 CHEMBL4092485 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229742&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137652758 383542850 CHEMBL4092485 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677130 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C97H150N34O19S3/c1-53(2)41-67-85(142)116-65(23-13-36-114-97(108)109)83(140)126-72(87(144)119-64(22-12-35-113-96(106)107)82(139)124-70(92(149)150)45-58-46-115-61-19-8-7-17-59(58)61)48-152-39-30-77(134)129-50-128-51-130(52-129)78(135)31-40-153-49-73(88(145)118-62(20-10-33-111-94(102)103)80(137)120-66(84(141)121-67)27-28-75(99)132)127-90(147)74-24-14-37-131(74)91(148)69(42-54(3)4)123-81(138)63(21-11-34-112-95(104)105)117-86(143)68(44-55-25-26-56-15-5-6-16-57(56)43-55)122-89(146)71(47-151-38-29-76(128)133)125-79(136)60(98)18-9-32-110-93(100)101/h5-8,15-17,19,25-26,43,46,53-54,60,62-74,115H,9-14,18,20-24,27-42,44-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 WGDLYTYYBVYNGF-IBIYWHNXSA-N 50229743 CHEMBL4071691 Coagulation factor XII 6.0 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229743&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137638810 383542851 CHEMBL4071691 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677131 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C95H148N34O19S4/c1-51(2)39-64-83(140)114-62(22-13-34-112-95(106)107)81(138)124-69(85(142)117-61(21-12-33-111-94(104)105)80(137)122-67(90(147)148)41-53-43-113-58-18-7-5-15-55(53)58)46-150-37-28-75(132)127-48-126-49-128(50-127)76(133)29-38-151-47-70(86(143)116-59(19-10-31-109-92(100)101)78(135)118-63(82(139)119-64)25-26-73(97)130)125-88(145)71-23-14-35-129(71)89(146)66(40-52(3)4)121-79(136)60(20-11-32-110-93(102)103)115-84(141)65(42-54-44-152-72-24-8-6-16-56(54)72)120-87(144)68(45-149-36-27-74(126)131)123-77(134)57(96)17-9-30-108-91(98)99/h5-8,15-16,18,24,43-44,51-52,57,59-71,113H,9-14,17,19-23,25-42,45-50,96H2,1-4H3,(H2,97,130)(H,114,140)(H,115,141)(H,116,143)(H,117,142)(H,118,135)(H,119,139)(H,120,144)(H,121,136)(H,122,137)(H,123,134)(H,124,138)(H,125,145)(H,147,148)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 XOYNYWSBYRIQSE-WDMUSLQMSA-N 50229744 CHEMBL4104497 Coagulation factor XII 6.8 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229744&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137656801 383542852 CHEMBL4104497 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677132 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C95H149N35O20S3/c1-50(2)37-65-83(142)115-63(19-11-32-112-95(106)107)81(140)125-70(85(144)118-62(18-10-31-111-94(104)105)80(139)123-68(90(149)150)40-52-42-113-58-15-6-5-13-55(52)58)45-152-35-26-75(134)128-47-127-48-129(49-128)76(135)27-36-153-46-71(86(145)117-60(16-8-29-109-92(100)101)78(137)119-64(82(141)120-65)23-24-73(97)132)126-88(147)72-20-12-33-130(72)89(148)67(38-51(3)4)122-79(138)61(17-9-30-110-93(102)103)116-84(143)66(39-53-43-114-59-22-21-54(131)41-56(53)59)121-87(146)69(44-151-34-25-74(127)133)124-77(136)57(96)14-7-28-108-91(98)99/h5-6,13,15,21-22,41-43,50-51,57,60-72,113-114,131H,7-12,14,16-20,23-40,44-49,96H2,1-4H3,(H2,97,132)(H,115,142)(H,116,143)(H,117,145)(H,118,144)(H,119,137)(H,120,141)(H,121,146)(H,122,138)(H,123,139)(H,124,136)(H,125,140)(H,126,147)(H,149,150)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 PRVMIKPFNLERNA-RGSFIUJSSA-N 50229745 CHEMBL4099601 Coagulation factor XII 94 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229745&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137661650 383542853 CHEMBL4099601 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677133 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N32O19S3/c1-53(2)42-65-83(137)112-63(26-16-37-109-94(104)105)81(135)121-70(85(139)114-62(25-15-36-108-93(102)103)80(134)119-68(90(144)145)45-56-46-110-59-22-11-10-20-57(56)59)48-147-40-31-75(129)124-50-123-51-125(52-124)76(130)32-41-148-49-71(86(140)113-61(24-14-35-107-92(100)101)78(132)115-64(82(136)116-65)28-29-73(97)127)122-88(142)72-27-17-38-126(72)89(143)67(43-54(3)4)118-79(133)60(23-9-6-12-33-95)111-84(138)66(44-55-18-7-5-8-19-55)117-87(141)69(47-146-39-30-74(123)128)120-77(131)58(96)21-13-34-106-91(98)99/h5,7-8,10-11,18-20,22,46,53-54,58,60-72,110H,6,9,12-17,21,23-45,47-52,95-96H2,1-4H3,(H2,97,127)(H,111,138)(H,112,137)(H,113,140)(H,114,139)(H,115,132)(H,116,136)(H,117,141)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 KXCYLFRMRJPOOJ-AQABPWJSSA-N 50229746 CHEMBL4070709 Coagulation factor XII 51 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229746&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137638188 383542854 CHEMBL4070709 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677137 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-52(2)41-64-82(139)114-62(25-15-36-111-94(105)106)80(137)123-69(84(141)116-61(24-14-35-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-21-9-8-19-56(55)58)47-149-39-30-74(131)126-49-125-50-127(51-126)75(132)31-40-150-48-70(85(142)115-60(23-13-34-109-92(101)102)77(134)117-63(81(138)118-64)27-28-72(96)129)124-87(144)71-26-16-37-128(71)88(145)66(42-53(3)4)120-78(135)59(22-10-11-32-107-90(97)98)113-83(140)65(43-54-17-6-5-7-18-54)119-86(143)68(46-148-38-29-73(125)130)122-76(133)57(95)20-12-33-108-91(99)100/h5-9,17-19,21,45,52-53,57,59-71,112H,10-16,20,22-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,140)(H,114,139)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 INLJSZDWDRVZNP-WDMUSLQMSA-N 50229747 CHEMBL4083175 Coagulation factor XII 71 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229747&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137646740 383542855 CHEMBL4083175 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677138 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O19S3/c1-50(2)39-62-80(137)111-59(22-13-33-108-91(101)102)77(134)121-67(82(139)113-58(21-12-32-107-90(99)100)76(133)119-65(87(144)145)42-53-43-110-56-19-9-8-17-54(53)56)45-147-37-28-72(129)124-47-123-48-125(49-124)73(130)29-38-148-46-68(83(140)112-57(20-11-31-106-89(97)98)75(132)114-60(78(135)116-62)24-25-70(94)127)122-85(142)69-23-14-35-126(69)86(143)64(40-51(3)4)118-79(136)61(26-34-109-92(103)104)115-81(138)63(41-52-15-6-5-7-16-52)117-84(141)66(44-146-36-27-71(123)128)120-74(131)55(93)18-10-30-105-88(95)96/h5-9,15-17,19,43,50-51,55,57-69,110H,10-14,18,20-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,140)(H,113,139)(H,114,132)(H,115,138)(H,116,135)(H,117,141)(H,118,136)(H,119,133)(H,120,131)(H,121,134)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 XOLWTUZFODBTRT-DTHCQXTISA-N 50229748 CHEMBL4069986 Coagulation factor XII 156 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229748&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137639978 383542856 CHEMBL4069986 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677139 CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C92H146N34O19S3/c1-4-16-62-86(143)126-37-15-26-69(126)85(142)122-68-47-148-40-31-73(130)125-49-123(71(128)29-38-146-45-66(120-74(131)55(93)20-10-32-105-88(95)96)84(141)118-64(42-52-17-6-5-7-18-52)81(138)112-58(76(133)116-62)23-12-34-107-90(99)100)48-124(50-125)72(129)30-39-147-46-67(82(139)114-59(24-13-35-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-21-9-8-19-54(53)56)121-78(135)60(25-14-36-109-92(103)104)111-80(137)63(41-51(2)3)117-79(136)61(27-28-70(94)127)115-75(132)57(113-83(68)140)22-11-33-106-89(97)98/h5-9,17-19,21,44,51,55,57-69,110H,4,10-16,20,22-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,133)(H,117,136)(H,118,141)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 CUWMYDBYFHEOOM-DTHCQXTISA-N 50229749 CHEMBL4082321 Coagulation factor XII 220 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229749&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648129 383542857 CHEMBL4082321 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677141 CC(C)CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C94H150N34O19S3/c1-52(2)26-27-64-88(145)128-38-15-25-71(128)87(144)124-70-48-150-41-32-75(132)127-50-125(73(130)30-39-148-46-68(122-76(133)57(95)19-10-33-107-90(97)98)86(143)120-66(43-54-16-6-5-7-17-54)83(140)114-60(78(135)118-64)22-12-35-109-92(101)102)49-126(51-127)74(131)31-40-149-47-69(84(141)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)123-80(137)62(24-14-37-111-94(105)106)113-82(139)65(42-53(3)4)119-81(138)63(28-29-72(96)129)117-77(134)59(115-85(70)142)21-11-34-108-91(99)100/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,135)(H,119,138)(H,120,143)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 DTDPJMCSZSOWPN-WDMUSLQMSA-N 50229750 CHEMBL4098701 Coagulation factor XII 2700 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229750&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137660438 383542858 CHEMBL4098701 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677142 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-52(2)41-63-81(139)113-61(25-15-36-111-93(105)106)79(137)123-68(83(141)116-59(23-13-34-109-91(101)102)77(135)120-65(88(146)147)43-54-45-112-57-21-10-9-19-55(54)57)47-149-39-30-73(131)126-49-125-50-127(51-126)74(132)31-40-150-48-69(84(142)115-58(22-12-33-108-90(99)100)76(134)117-62(80(138)118-63)27-28-71(96)129)124-86(144)70-26-16-37-128(70)87(145)66(44-94(3,4)5)121-78(136)60(24-14-35-110-92(103)104)114-82(140)64(42-53-17-7-6-8-18-53)119-85(143)67(46-148-38-29-72(125)130)122-75(133)56(95)20-11-32-107-89(97)98/h6-10,17-19,21,45,52,56,58-70,112H,11-16,20,22-44,46-51,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 JGDMXOULCQVETP-DTWYIHJYSA-N 50229751 CHEMBL4065158 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229751&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137631482 383542859 CHEMBL4065158 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677143 CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O19S3/c1-4-16-57-75(132)112-61(25-14-36-109-92(103)104)79(136)121-67(82(139)115-60(24-13-35-108-91(101)102)78(135)119-65(87(144)145)43-53-44-110-56-21-9-8-19-54(53)56)46-147-39-30-72(129)124-48-123-49-125(50-124)73(130)31-40-148-47-68(83(140)114-58(22-11-33-106-89(97)98)76(133)116-62(80(137)111-57)27-28-70(94)127)122-85(142)69-26-15-37-126(69)86(143)64(41-51(2)3)118-77(134)59(23-12-34-107-90(99)100)113-81(138)63(42-52-17-6-5-7-18-52)117-84(141)66(45-146-38-29-71(123)128)120-74(131)55(93)20-10-32-105-88(95)96/h5-9,17-19,21,44,51,55,57-69,110H,4,10-16,20,22-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,132)(H,113,138)(H,114,140)(H,115,139)(H,116,133)(H,117,141)(H,118,134)(H,119,135)(H,120,131)(H,121,136)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 PVHWPWVQFNDWKW-DTHCQXTISA-N 50229752 CHEMBL4060539 Coagulation factor XII 72 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229752&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137634505 383542860 CHEMBL4060539 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677144 CC(C)CC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-52(2)26-27-63-81(138)113-62(24-14-37-111-94(105)106)80(137)123-69(84(141)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(85(142)115-59(21-11-34-108-91(99)100)77(134)118-64(82(139)117-63)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(42-53(3)4)120-78(135)60(22-12-35-109-92(101)102)114-83(140)65(43-54-16-6-5-7-17-54)119-86(143)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,142)(H,116,141)(H,117,139)(H,118,134)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 BRCBBMKEILBZFT-WDMUSLQMSA-N 50229753 CHEMBL4076870 Coagulation factor XII 29 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229753&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137652554 383542861 CHEMBL4076870 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677145 CCCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H148N34O19S3/c1-4-5-21-58-76(133)113-62(26-15-37-110-93(104)105)80(137)122-68(83(140)116-61(25-14-36-109-92(102)103)79(136)120-66(88(145)146)44-54-45-111-57-22-10-9-19-55(54)57)47-148-40-31-73(130)125-49-124-50-126(51-125)74(131)32-41-149-48-69(84(141)115-59(23-12-34-107-90(98)99)77(134)117-63(81(138)112-58)28-29-71(95)128)123-86(143)70-27-16-38-127(70)87(144)65(42-52(2)3)119-78(135)60(24-13-35-108-91(100)101)114-82(139)64(43-53-17-7-6-8-18-53)118-85(142)67(46-147-39-30-72(124)129)121-75(132)56(94)20-11-33-106-89(96)97/h6-10,17-19,22,45,52,56,58-70,111H,4-5,11-16,20-21,23-44,46-51,94H2,1-3H3,(H2,95,128)(H,112,138)(H,113,133)(H,114,139)(H,115,141)(H,116,140)(H,117,134)(H,118,142)(H,119,135)(H,120,136)(H,121,132)(H,122,137)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 ZUJAGXJEJHNKMS-DTWYIHJYSA-N 50229754 CHEMBL4075523 Coagulation factor XII 31 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229754&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137652494 383542862 CHEMBL4075523 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677146 CCC(CC)C1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-5-54(6-2)75-87(144)117-62(26-16-37-111-94(105)106)80(137)122-68(83(140)115-61(25-15-36-110-93(103)104)79(136)120-66(89(146)147)44-55-45-112-58-22-11-10-20-56(55)58)47-149-40-31-73(131)126-49-125-50-127(51-126)74(132)32-41-150-48-69(84(141)114-59(23-13-34-108-91(99)100)77(134)116-63(81(138)124-75)28-29-71(96)129)123-86(143)70-27-17-38-128(70)88(145)65(42-52(3)4)119-78(135)60(24-14-35-109-92(101)102)113-82(139)64(43-53-18-8-7-9-19-53)118-85(142)67(46-148-39-30-72(125)130)121-76(133)57(95)21-12-33-107-90(97)98/h7-11,18-20,22,45,52,54,57,59-70,75,112H,5-6,12-17,21,23-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,141)(H,115,140)(H,116,134)(H,117,144)(H,118,142)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,143)(H,124,138)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75?/m0/s1 BXJUWBGWNGTBEP-OJMRATDQSA-N 50229755 CHEMBL4061253 Coagulation factor XII 38 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229755&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137635231 383542863 CHEMBL4061253 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677147 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-51(2)40-64-82(139)113-62(24-14-35-111-94(105)106)80(137)123-69(84(141)116-61(23-13-34-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-20-9-8-18-56(55)58)46-149-38-29-74(131)126-48-125-49-127(50-126)75(132)30-39-150-47-70(85(142)115-59(21-11-32-108-91(99)100)77(134)117-63(81(138)118-64)26-27-72(96)129)124-87(144)71-25-15-36-128(71)88(145)66(41-52(3)4)120-78(135)60(22-12-33-109-92(101)102)114-83(140)65(42-54-17-7-6-16-53(54)5)119-86(143)68(45-148-37-28-73(125)130)122-76(133)57(95)19-10-31-107-90(97)98/h6-9,16-18,20,44,51-52,57,59-71,112H,10-15,19,21-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 GHQUAHNVYXZXJQ-WDMUSLQMSA-N 50229756 CHEMBL4089409 Coagulation factor XII 40 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229756&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137641421 383542864 CHEMBL4089409 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677148 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(C)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H150N34O19S3/c1-51(2)40-64-82(139)113-62(20-12-35-111-94(105)106)80(137)123-69(84(141)116-61(19-11-34-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-16-7-6-14-56(55)58)46-149-38-29-74(131)126-48-125-49-127(50-126)75(132)30-39-150-47-70(85(142)115-59(17-9-32-108-91(99)100)77(134)117-63(81(138)118-64)26-27-72(96)129)124-87(144)71-21-13-36-128(71)88(145)66(41-52(3)4)120-78(135)60(18-10-33-109-92(101)102)114-83(140)65(42-54-24-22-53(5)23-25-54)119-86(143)68(45-148-37-28-73(125)130)122-76(133)57(95)15-8-31-107-90(97)98/h6-7,14,16,22-25,44,51-52,57,59-71,112H,8-13,15,17-21,26-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 QREKRMIJELVKCO-WDMUSLQMSA-N 50229757 CHEMBL4081537 Coagulation factor XII 39 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229757&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137648328 383542865 CHEMBL4081537 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677149 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccnc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H147N35O19S3/c1-50(2)38-62-80(138)112-60(21-12-33-110-92(103)104)78(136)122-67(82(140)115-59(20-11-32-109-91(101)102)77(135)120-65(87(145)146)41-53-43-111-56-17-6-5-15-54(53)56)45-148-36-26-72(130)125-47-124-48-126(49-125)73(131)27-37-149-46-68(83(141)114-57(18-9-30-107-89(97)98)75(133)116-61(79(137)117-62)23-24-70(94)128)123-85(143)69-22-13-34-127(69)86(144)64(39-51(3)4)119-76(134)58(19-10-31-108-90(99)100)113-81(139)63(40-52-14-7-28-105-42-52)118-84(142)66(44-147-35-25-71(124)129)121-74(132)55(93)16-8-29-106-88(95)96/h5-7,14-15,17,28,42-43,50-51,55,57-69,111H,8-13,16,18-27,29-41,44-49,93H2,1-4H3,(H2,94,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 XQVXBNOCBHVNJS-DTHCQXTISA-N 50229758 CHEMBL4102962 Coagulation factor XII 3.0 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229758&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137656875 383542866 CHEMBL4102962 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677168 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147FN34O19S3/c1-50(2)39-63-81(139)113-61(23-13-34-111-93(105)106)79(137)123-68(83(141)116-60(22-12-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-19-8-6-16-54(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(20-10-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-24-14-35-128(70)87(145)65(40-51(3)4)120-77(135)59(21-11-32-109-91(101)102)114-82(140)64(41-52-15-5-7-17-55(52)94)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)18-9-30-107-89(97)98/h5-8,15-17,19,43,50-51,56,58-70,112H,9-14,18,20-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 TWOVPSAQIRJNEK-DTWYIHJYSA-N 50229849 CHEMBL4090666 Coagulation factor XII 27 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137643069 383542867 CHEMBL4090666 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677178 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc(F)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147FN34O19S3/c1-50(2)38-63-81(139)113-61(22-12-33-111-93(105)106)79(137)123-68(83(141)116-60(21-11-32-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-18-6-5-16-55(53)57)45-149-36-27-73(131)126-47-125-48-127(49-126)74(132)28-37-150-46-69(84(142)115-58(19-9-30-108-90(99)100)76(134)117-62(80(138)118-63)24-25-71(96)129)124-86(144)70-23-13-34-128(70)87(145)65(39-51(3)4)120-77(135)59(20-10-31-109-91(101)102)114-82(140)64(41-52-14-7-15-54(94)40-52)119-85(143)67(44-148-35-26-72(125)130)122-75(133)56(95)17-8-29-107-89(97)98/h5-7,14-16,18,40,43,50-51,56,58-70,112H,8-13,17,19-39,41-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 GLPCTPDXGIEVPG-DTWYIHJYSA-N 50229866 CHEMBL4069650 Coagulation factor XII 4.5 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229866&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137640250 383542868 CHEMBL4069650 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677179 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147FN34O19S3/c1-50(2)39-63-81(139)113-61(19-11-34-111-93(105)106)79(137)123-68(83(141)116-60(18-10-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-15-6-5-13-55(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(16-8-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-20-12-35-128(70)87(145)65(40-51(3)4)120-77(135)59(17-9-32-109-91(101)102)114-82(140)64(41-52-21-23-54(94)24-22-52)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)14-7-30-107-89(97)98/h5-6,13,15,21-24,43,50-51,56,58-70,112H,7-12,14,16-20,25-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 LELYYMAZLVRHIE-DTWYIHJYSA-N 50229867 CHEMBL4098389 Coagulation factor XII 0.890000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229867&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137661815 383542869 CHEMBL4098389 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677180 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H147N35O21S3/c1-50(2)39-63-81(139)112-61(19-11-34-110-93(104)105)79(137)122-68(83(141)115-60(18-10-33-109-92(102)103)78(136)120-66(88(146)147)42-53-43-111-57-15-6-5-13-55(53)57)45-151-37-28-73(131)125-47-124-48-126(49-125)74(132)29-38-152-46-69(84(142)114-58(16-8-31-107-90(98)99)76(134)116-62(80(138)117-63)25-26-71(95)129)123-86(144)70-20-12-35-127(70)87(145)65(40-51(3)4)119-77(135)59(17-9-32-108-91(100)101)113-82(140)64(41-52-21-23-54(24-22-52)128(148)149)118-85(143)67(44-150-36-27-72(124)130)121-75(133)56(94)14-7-30-106-89(96)97/h5-6,13,15,21-24,43,50-51,56,58-70,111H,7-12,14,16-20,25-42,44-49,94H2,1-4H3,(H2,95,129)(H,112,139)(H,113,140)(H,114,142)(H,115,141)(H,116,134)(H,117,138)(H,118,143)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,144)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 VNYJKRILOPYEDI-DTWYIHJYSA-N 50229872 CHEMBL4059973 Coagulation factor XII 1.6 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229872&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137636548 383542870 CHEMBL4059973 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677181 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H137FN32O18S3/c1-44(2)35-54-70(125)101-51(14-8-29-99-81(92)93)68(123)110-58(73(128)105-53(77(132)133)15-9-30-100-82(94)95)39-135-33-24-63(118)113-41-112-42-114(43-113)64(119)25-34-136-40-59(72(127)103-49(12-6-27-97-79(88)89)66(121)104-52(69(124)106-54)21-22-61(85)116)111-75(130)60-16-10-31-115(60)76(131)56(36-45(3)4)108-67(122)50(13-7-28-98-80(90)91)102-71(126)55(37-46-17-19-47(83)20-18-46)107-74(129)57(38-134-32-23-62(112)117)109-65(120)48(84)11-5-26-96-78(86)87/h17-20,44-45,48-60H,5-16,21-43,84H2,1-4H3,(H2,85,116)(H,101,125)(H,102,126)(H,103,127)(H,104,121)(H,105,128)(H,106,124)(H,107,129)(H,108,122)(H,109,120)(H,110,123)(H,111,130)(H,132,133)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 PPDZEZPIUFYUHG-BLSIRIBZSA-N 50229873 CHEMBL4088217 Coagulation factor XII 0.840000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229873&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137644158 383542871 CHEMBL4088217 C04026 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677182 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C95H149N35O19S3/c1-51(2)39-65-83(141)115-63(23-13-34-112-95(106)107)81(139)125-70(85(143)118-62(22-12-33-111-94(104)105)80(138)123-68(90(148)149)42-54-44-114-59-19-8-6-16-56(54)59)46-151-37-28-75(133)128-48-127-49-129(50-128)76(134)29-38-152-47-71(86(144)117-60(20-10-31-109-92(100)101)78(136)119-64(82(140)120-65)25-26-73(97)131)126-88(146)72-24-14-35-130(72)89(147)67(40-52(3)4)122-79(137)61(21-11-32-110-93(102)103)116-84(142)66(41-53-43-113-58-18-7-5-15-55(53)58)121-87(145)69(45-150-36-27-74(127)132)124-77(135)57(96)17-9-30-108-91(98)99/h5-8,15-16,18-19,43-44,51-52,57,60-72,113-114H,9-14,17,20-42,45-50,96H2,1-4H3,(H2,97,131)(H,115,141)(H,116,142)(H,117,144)(H,118,143)(H,119,136)(H,120,140)(H,121,145)(H,122,137)(H,123,138)(H,124,135)(H,125,139)(H,126,146)(H,148,149)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 BQEVRYNIFLJBDO-RGSFIUJSSA-N 50229874 CHEMBL4074453 Coagulation factor XII 12 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229874&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137640477 383542872 CHEMBL4074453 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677183 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H148N34O20S3/c1-50(2)39-63-81(139)112-61(19-11-34-110-93(104)105)79(137)122-68(83(141)115-60(18-10-33-109-92(102)103)78(136)120-66(88(146)147)42-53-43-111-57-15-6-5-13-55(53)57)45-149-37-28-73(131)125-47-124-48-126(49-125)74(132)29-38-150-46-69(84(142)114-58(16-8-31-107-90(98)99)76(134)116-62(80(138)117-63)25-26-71(95)129)123-86(144)70-20-12-35-127(70)87(145)65(40-51(3)4)119-77(135)59(17-9-32-108-91(100)101)113-82(140)64(41-52-21-23-54(128)24-22-52)118-85(143)67(44-148-36-27-72(124)130)121-75(133)56(94)14-7-30-106-89(96)97/h5-6,13,15,21-24,43,50-51,56,58-70,111,128H,7-12,14,16-20,25-42,44-49,94H2,1-4H3,(H2,95,129)(H,112,139)(H,113,140)(H,114,142)(H,115,141)(H,116,134)(H,117,138)(H,118,143)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,144)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 NMTTVNREVCCRMT-DTWYIHJYSA-N 50229875 CHEMBL4077847 Coagulation factor XII 32 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229875&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137649789 383542873 CHEMBL4077847 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677184 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C89H146N34O19S3/c1-48(2)38-59-77(134)108-56(19-10-31-105-88(98)99)75(132)116-62(78(135)110-55(18-9-30-104-87(96)97)74(131)115-61(84(141)142)40-50-41-107-53-16-6-5-14-51(50)53)42-143-35-25-68(125)119-45-120-47-121(46-119)70(127)27-37-145-44-64(118-71(128)52(90)15-7-28-102-85(92)93)83(140)123-34-13-21-65(123)80(137)112-57(20-11-32-106-89(100)101)73(130)114-60(39-49(3)4)82(139)122-33-12-22-66(122)81(138)117-63(43-144-36-26-69(120)126)79(136)109-54(17-8-29-103-86(94)95)72(129)111-58(76(133)113-59)23-24-67(91)124/h5-6,14,16,41,48-49,52,54-66,107H,7-13,15,17-40,42-47,90H2,1-4H3,(H2,91,124)(H,108,134)(H,109,136)(H,110,135)(H,111,129)(H,112,137)(H,113,133)(H,114,130)(H,115,131)(H,116,132)(H,117,138)(H,118,128)(H,141,142)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 OGUSYWYQOPUEMU-INLGIXMQSA-N 50229876 CHEMBL4085699 Coagulation factor XII 37 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229876&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137646371 383542874 CHEMBL4085699 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677185 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C87H144N34O19S3/c1-46(2)36-58-76(133)108-56(20-12-31-104-87(98)99)74(131)116-62(78(135)110-55(19-11-30-103-86(96)97)73(130)114-60(82(139)140)38-49-39-105-52-16-7-6-14-50(49)52)41-142-34-25-67(124)119-43-118-44-120(45-119)68(125)26-35-143-42-63(79(136)109-54(18-10-29-102-85(94)95)71(128)111-57(75(132)112-58)22-23-65(89)122)117-80(137)64-21-13-32-121(64)81(138)59(37-47(3)4)113-72(129)53(17-9-28-101-84(92)93)107-69(126)48(5)106-77(134)61(40-141-33-24-66(118)123)115-70(127)51(88)15-8-27-100-83(90)91/h6-7,14,16,39,46-48,51,53-64,105H,8-13,15,17-38,40-45,88H2,1-5H3,(H2,89,122)(H,106,134)(H,107,126)(H,108,133)(H,109,136)(H,110,135)(H,111,128)(H,112,132)(H,113,129)(H,114,130)(H,115,127)(H,116,131)(H,117,137)(H,139,140)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/t48-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 UINCQPAYCNZKNU-COHBMFBWSA-N 50229877 CHEMBL4103630 Coagulation factor XII 132 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229877&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137657066 383542875 CHEMBL4103630 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677186 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C89H148N34O19S3/c1-47(2)37-59-77(134)108-56(20-12-31-105-88(98)99)75(132)117-62(78(135)110-55(19-11-30-104-87(96)97)74(131)115-61(84(141)142)39-50-40-107-53-17-8-7-15-51(50)53)41-143-34-25-67(125)120-44-121-46-122(45-120)69(127)27-36-145-43-64(116-71(128)52(90)16-9-28-102-85(92)93)80(137)119-70(49(5)6)82(139)112-57(21-13-32-106-89(100)101)73(130)114-60(38-48(3)4)83(140)123-33-14-22-65(123)81(138)118-63(42-144-35-26-68(121)126)79(136)109-54(18-10-29-103-86(94)95)72(129)111-58(76(133)113-59)23-24-66(91)124/h7-8,15,17,40,47-49,52,54-65,70,107H,9-14,16,18-39,41-46,90H2,1-6H3,(H2,91,124)(H,108,134)(H,109,136)(H,110,135)(H,111,129)(H,112,139)(H,113,133)(H,114,130)(H,115,131)(H,116,128)(H,117,132)(H,118,138)(H,119,137)(H,141,142)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-/m0/s1 GSRUEHGYTXEHNW-SCAUYZQSSA-N 50229883 CHEMBL4104508 Coagulation factor XII 160 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229883&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137657102 383542876 CHEMBL4104508 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677190 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H148N32O19S3/c1-52(2)41-64-82(136)111-62(25-15-36-108-93(103)104)80(134)120-69(84(138)113-61(24-14-35-107-92(101)102)79(133)118-67(89(143)144)44-55-45-109-58-21-9-8-19-56(55)58)47-146-39-30-74(128)123-49-122-50-124(51-123)75(129)31-40-147-48-70(85(139)112-60(23-13-34-106-91(99)100)77(131)114-63(81(135)115-64)27-28-72(96)126)121-87(141)71-26-16-37-125(71)88(142)66(42-53(3)4)117-78(132)59(22-10-11-32-94)110-83(137)65(43-54-17-6-5-7-18-54)116-86(140)68(46-145-38-29-73(122)127)119-76(130)57(95)20-12-33-105-90(97)98/h5-9,17-19,21,45,52-53,57,59-71,109H,10-16,20,22-44,46-51,94-95H2,1-4H3,(H2,96,126)(H,110,137)(H,111,136)(H,112,139)(H,113,138)(H,114,131)(H,115,135)(H,116,140)(H,117,132)(H,118,133)(H,119,130)(H,120,134)(H,121,141)(H,143,144)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 IPFBBVHJBXNAII-WDMUSLQMSA-N 50229884 CHEMBL4089914 Coagulation factor XII 111 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229884&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137643497 383542877 CHEMBL4089914 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677193 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O19S3/c1-50(2)40-62-80(137)111-59(23-13-34-108-91(101)102)77(134)120-66(82(139)114-58(22-12-33-107-90(99)100)76(133)118-64(87(144)145)42-53-43-110-56-20-9-8-18-54(53)56)45-147-38-29-71(129)124-47-123-48-125(49-124)72(130)30-39-148-46-67(83(140)113-57(21-11-32-106-89(97)98)75(132)115-61(78(135)116-62)26-27-69(94)127)121-85(142)68-25-15-36-126(68)86(143)73(51(3)4)122-79(136)60(24-14-35-109-92(103)104)112-81(138)63(41-52-16-6-5-7-17-52)117-84(141)65(44-146-37-28-70(123)128)119-74(131)55(93)19-10-31-105-88(95)96/h5-9,16-18,20,43,50-51,55,57-68,73,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,135)(H,117,141)(H,118,133)(H,119,131)(H,120,134)(H,121,142)(H,122,136)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-/m0/s1 KXISICYTUIJSTC-VUMYNOGHSA-N 50229887 CHEMBL4068822 Coagulation factor XII 570 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229887&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137633318 383542878 CHEMBL4068822 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677202 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C93H148N34O19S3/c1-5-52(4)74-87(144)127-37-16-26-69(127)86(143)122-68-47-149-40-31-73(131)126-49-124(71(129)29-38-147-45-66(120-75(132)56(94)20-11-32-106-89(96)97)85(142)118-64(42-53-17-7-6-8-18-53)82(139)113-61(80(137)123-74)25-15-36-110-93(104)105)48-125(50-126)72(130)30-39-148-46-67(83(140)115-59(23-13-34-108-91(100)101)77(134)119-65(88(145)146)43-54-44-111-57-21-10-9-19-55(54)57)121-78(135)60(24-14-35-109-92(102)103)112-81(138)63(41-51(2)3)117-79(136)62(27-28-70(95)128)116-76(133)58(114-84(68)141)22-12-33-107-90(98)99/h6-10,17-19,21,44,51-52,56,58-69,74,111H,5,11-16,20,22-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,136)(H,118,142)(H,119,134)(H,120,132)(H,121,135)(H,122,143)(H,123,137)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t52-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 DOZRTBBGLHWVLJ-TYVPALFGSA-N 50229888 CHEMBL4082052 Coagulation factor XII 890 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229888&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137647428 383542879 CHEMBL4082052 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677208 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C90H142N34O19S3/c1-49(2)39-61-78(135)111-59(23-13-34-107-90(101)102)76(133)119-65(80(137)113-58(22-12-33-106-89(99)100)75(132)117-63(85(142)143)41-52-42-108-55-19-8-7-17-53(52)55)44-145-37-28-70(127)122-46-121-47-123(48-122)71(128)29-38-146-45-66(81(138)112-57(21-11-32-105-88(97)98)74(131)114-60(77(134)115-61)25-26-68(92)125)120-83(140)67-24-14-35-124(67)84(141)50(3)109-73(130)56(20-10-31-104-87(95)96)110-79(136)62(40-51-15-5-4-6-16-51)116-82(139)64(43-144-36-27-69(121)126)118-72(129)54(91)18-9-30-103-86(93)94/h4-8,15-17,19,42,49-50,54,56-67,108H,9-14,18,20-41,43-48,91H2,1-3H3,(H2,92,125)(H,109,130)(H,110,136)(H,111,135)(H,112,138)(H,113,137)(H,114,131)(H,115,134)(H,116,139)(H,117,132)(H,118,129)(H,119,133)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 UFFKIZKWBCFIJW-VCJMGQFNSA-N 50229975 CHEMBL4071520 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229975&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137639260 383542880 CHEMBL4071520 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677225 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C91H146N34O19S3/c1-49(2)38-62-80(137)110-51(5)73(130)120-66-43-145-35-27-70(127)123-46-124(71(128)28-36-146-44-67(121-74(131)55(92)19-11-30-104-87(94)95)85(142)118-64(40-52-16-7-6-8-17-52)82(139)112-58(76(133)116-62)22-13-32-106-89(98)99)48-125(47-123)72(129)29-37-147-45-68(84(141)114-59(23-14-33-107-90(100)101)77(134)119-65(86(143)144)41-53-42-109-56-20-10-9-18-54(53)56)122-78(135)60(24-15-34-108-91(102)103)111-81(138)63(39-50(3)4)117-79(136)61(25-26-69(93)126)115-75(132)57(113-83(66)140)21-12-31-105-88(96)97/h6-10,16-18,20,42,49-51,55,57-68,109H,11-15,19,21-41,43-48,92H2,1-5H3,(H2,93,126)(H,110,137)(H,111,138)(H,112,139)(H,113,140)(H,114,141)(H,115,132)(H,116,133)(H,117,136)(H,118,142)(H,119,134)(H,120,130)(H,121,131)(H,122,135)(H,143,144)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t51-,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 IAHJTJAHNSHYFK-IOBGLNQYSA-N 50229976 CHEMBL4098557 Coagulation factor XII 20 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229976&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137662055 383542881 CHEMBL4098557 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677227 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H150N34O19S3/c1-50(2)39-63-81(138)112-61(25-16-35-110-93(104)105)79(136)122-68(84(141)115-60(24-15-34-109-92(102)103)78(135)120-66(88(145)146)42-54-43-111-57-21-11-10-19-55(54)57)45-148-37-29-72(130)126-47-125-48-127(49-126)73(131)30-38-149-46-69(85(142)114-58(22-13-32-107-90(98)99)76(133)116-62(80(137)117-63)26-27-70(95)128)123-87(144)74(52(5)6)124-83(140)64(40-51(3)4)118-77(134)59(23-14-33-108-91(100)101)113-82(139)65(41-53-17-8-7-9-18-53)119-86(143)67(44-147-36-28-71(125)129)121-75(132)56(94)20-12-31-106-89(96)97/h7-11,17-19,21,43,50-52,56,58-69,74,111H,12-16,20,22-42,44-49,94H2,1-6H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,142)(H,115,141)(H,116,133)(H,117,137)(H,118,134)(H,119,143)(H,120,135)(H,121,132)(H,122,136)(H,123,144)(H,124,140)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 HZFHZWFQGUHLAF-DLCGLZIPSA-N 50229979 CHEMBL4090836 Coagulation factor XII 47 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229979&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137644699 383542882 CHEMBL4090836 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677235 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H152N34O19S3/c1-51(2)39-64-82(139)113-62(25-16-35-111-94(105)106)80(137)124-70(86(143)116-61(24-15-34-110-93(103)104)79(136)122-68(89(146)147)43-55-44-112-58-21-11-10-19-56(55)58)46-149-37-29-74(131)127-48-126-49-128(50-127)75(132)30-38-150-47-71(87(144)115-59(22-13-32-108-91(99)100)77(134)117-63(81(138)119-64)26-27-72(96)129)125-84(141)66(41-53(5)6)120-83(140)65(40-52(3)4)118-78(135)60(23-14-33-109-92(101)102)114-85(142)67(42-54-17-8-7-9-18-54)121-88(145)69(45-148-36-28-73(126)130)123-76(133)57(95)20-12-31-107-90(97)98/h7-11,17-19,21,44,51-53,57,59-71,112H,12-16,20,22-43,45-50,95H2,1-6H3,(H2,96,129)(H,113,139)(H,114,142)(H,115,144)(H,116,143)(H,117,134)(H,118,135)(H,119,138)(H,120,140)(H,121,145)(H,122,136)(H,123,133)(H,124,137)(H,125,141)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 FDBMFZBFJXGTJM-WDMUSLQMSA-N 50229980 CHEMBL4101024 Coagulation factor XII 13 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229980&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137659360 383542883 CHEMBL4101024 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677236 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H147N35O20S3/c1-49(2)37-61-80(139)112-59(23-14-33-110-92(104)105)78(137)123-67(84(143)115-58(22-13-32-109-91(102)103)77(136)121-65(87(146)147)40-52-42-111-55-19-9-8-17-53(52)55)44-149-35-27-72(131)126-46-125-47-127(48-126)73(132)28-36-150-45-68(85(144)114-56(20-11-30-107-89(98)99)75(134)116-60(79(138)118-61)24-25-69(94)128)124-83(142)64(41-70(95)129)120-81(140)62(38-50(3)4)117-76(135)57(21-12-31-108-90(100)101)113-82(141)63(39-51-15-6-5-7-16-51)119-86(145)66(43-148-34-26-71(125)130)122-74(133)54(93)18-10-29-106-88(96)97/h5-9,15-17,19,42,49-50,54,56-68,111H,10-14,18,20-41,43-48,93H2,1-4H3,(H2,94,128)(H2,95,129)(H,112,139)(H,113,141)(H,114,144)(H,115,143)(H,116,134)(H,117,135)(H,118,138)(H,119,145)(H,120,140)(H,121,136)(H,122,133)(H,123,137)(H,124,142)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 SRNDPKJOXYXFDV-UGPGGNGJSA-N 50229981 CHEMBL4083046 Coagulation factor XII 104 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229981&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137645342 383542884 CHEMBL4083046 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677238 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H145N33O20S3/c1-50(2)38-61-79(136)110-60(24-14-33-108-92(102)103)78(135)120-67(82(139)113-59(23-13-32-107-91(100)101)77(134)118-65(87(144)145)41-53-43-109-56-20-9-8-18-54(53)56)45-147-36-27-71(127)123-47-122-48-124(49-123)72(128)28-37-148-46-68(83(140)112-57(21-11-30-105-89(96)97)75(132)116-63(42-73(129)130)81(138)114-61)121-85(142)69-25-15-34-125(69)86(143)64(39-51(3)4)117-76(133)58(22-12-31-106-90(98)99)111-80(137)62(40-52-16-6-5-7-17-52)115-84(141)66(44-146-35-26-70(122)126)119-74(131)55(93)19-10-29-104-88(94)95/h5-9,16-18,20,43,50-51,55,57-69,109H,10-15,19,21-42,44-49,93H2,1-4H3,(H,110,136)(H,111,137)(H,112,140)(H,113,139)(H,114,138)(H,115,141)(H,116,132)(H,117,133)(H,118,134)(H,119,131)(H,120,135)(H,121,142)(H,129,130)(H,144,145)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 SNPVWGSODOVXIF-DTHCQXTISA-N 50229982 CHEMBL4082929 Coagulation factor XII 550 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229982&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137647462 383542885 CHEMBL4082929 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677248 CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C92H146N34O19S3/c1-50(2)38-61-79(136)111-60(24-14-33-109-92(103)104)78(135)121-67(82(139)114-59(23-13-32-108-91(101)102)77(134)119-65(87(144)145)41-53-43-110-56-20-9-8-18-54(53)56)45-147-36-27-72(129)124-47-123-48-125(49-124)73(130)28-37-148-46-68(83(140)113-57(21-11-30-106-89(97)98)75(132)117-63(42-70(94)127)81(138)115-61)122-85(142)69-25-15-34-126(69)86(143)64(39-51(3)4)118-76(133)58(22-12-31-107-90(99)100)112-80(137)62(40-52-16-6-5-7-17-52)116-84(141)66(44-146-35-26-71(123)128)120-74(131)55(93)19-10-29-105-88(95)96/h5-9,16-18,20,43,50-51,55,57-69,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,136)(H,112,137)(H,113,140)(H,114,139)(H,115,138)(H,116,141)(H,117,132)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 NPUIFFLGPCSFIU-DTHCQXTISA-N 50229983 CHEMBL4091636 Coagulation factor XII 1000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229983&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137653667 383542886 CHEMBL4091636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677259 CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C94H147N35O18S3/c1-52(2)38-64-81(138)114-63(24-14-33-111-94(104)105)80(137)124-70(84(141)117-62(23-13-32-110-93(102)103)79(136)122-68(89(146)147)41-55-43-112-59-20-9-8-18-57(55)59)46-149-36-27-74(131)127-49-126-50-128(51-127)75(132)28-37-150-47-71(85(142)116-60(21-11-30-108-91(98)99)77(134)120-66(83(140)118-64)42-56-44-106-48-113-56)125-87(144)72-25-15-34-129(72)88(145)67(39-53(3)4)121-78(135)61(22-12-31-109-92(100)101)115-82(139)65(40-54-16-6-5-7-17-54)119-86(143)69(45-148-35-26-73(126)130)123-76(133)58(95)19-10-29-107-90(96)97/h5-9,16-18,20,43-44,48,52-53,58,60-72,112H,10-15,19,21-42,45-47,49-51,95H2,1-4H3,(H,106,113)(H,114,138)(H,115,139)(H,116,142)(H,117,141)(H,118,140)(H,119,143)(H,120,134)(H,121,135)(H,122,136)(H,123,133)(H,124,137)(H,125,144)(H,146,147)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 MPPAGBZUNANNLA-AQABPWJSSA-N 50229984 CHEMBL4103767 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229984&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137658265 383542887 CHEMBL4103767 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677267 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N InChI=1S/C92H146N34O19S3/c1-50(2)40-63-86(143)126-36-15-25-68(126)84(141)121-67-46-148-39-30-72(130)125-48-123(70(128)28-37-146-44-65(119-74(131)55(93)19-10-31-105-88(95)96)83(140)116-62(41-52-16-6-5-7-17-52)80(137)111-58(76(133)117-63)22-12-33-107-90(99)100)47-124(49-125)71(129)29-38-147-45-66(81(138)113-59(23-13-34-108-91(101)102)77(134)118-64(87(144)145)42-53-43-110-56-20-9-8-18-54(53)56)120-78(135)60(24-14-35-109-92(103)104)115-85(142)73(51(3)4)122-79(136)61(26-27-69(94)127)114-75(132)57(112-82(67)139)21-11-32-106-89(97)98/h5-9,16-18,20,43,50-51,55,57-68,73,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,139)(H,113,138)(H,114,132)(H,115,142)(H,116,140)(H,117,133)(H,118,134)(H,119,131)(H,120,135)(H,121,141)(H,122,136)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-/m0/s1 OZPVGGOSCQULNN-VUMYNOGHSA-N 50229985 CHEMBL4079514 Coagulation factor XII 326 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229985&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137651973 383542888 CHEMBL4079514 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677289 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C93H148N34O19S3/c1-5-52(4)74-86(143)116-61(25-15-36-110-93(104)105)79(136)121-67(82(139)114-60(24-14-35-109-92(102)103)78(135)119-65(88(145)146)43-54-44-111-57-21-10-9-19-55(54)57)46-148-39-30-72(130)125-48-124-49-126(50-125)73(131)31-40-149-47-68(83(140)113-58(22-12-33-107-90(98)99)76(133)115-62(80(137)123-74)27-28-70(95)128)122-85(142)69-26-16-37-127(69)87(144)64(41-51(2)3)118-77(134)59(23-13-34-108-91(100)101)112-81(138)63(42-53-17-7-6-8-18-53)117-84(141)66(45-147-38-29-71(124)129)120-75(132)56(94)20-11-32-106-89(96)97/h6-10,17-19,21,44,51-52,56,58-69,74,111H,5,11-16,20,22-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,140)(H,114,139)(H,115,133)(H,116,143)(H,117,141)(H,118,134)(H,119,135)(H,120,132)(H,121,136)(H,122,142)(H,123,137)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t52-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 FUDNBXQRRGXKTK-TYVPALFGSA-N 50229986 CHEMBL4065820 Coagulation factor XII 78 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229986&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137633359 383542889 CHEMBL4065820 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50677300 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O InChI=1S/C76H126N28O17S3/c1-42(2)33-50-66(114)91-48(18-11-28-90-76(85)86)64(112)100-55(72(120)121)38-124-32-24-60(108)103-40-101-39-102(41-103)59(107)23-31-123-37-54(68(116)93-46(16-9-26-88-74(81)82)62(110)94-49(65(113)95-50)20-21-57(78)105)99-70(118)56-19-12-29-104(56)71(119)52(34-43(3)4)97-63(111)47(17-10-27-89-75(83)84)92-67(115)51(35-44-13-6-5-7-14-44)96-69(117)53(36-122-30-22-58(101)106)98-61(109)45(77)15-8-25-87-73(79)80/h5-7,13-14,42-43,45-56H,8-12,15-41,77H2,1-4H3,(H2,78,105)(H,91,114)(H,92,115)(H,93,116)(H,94,110)(H,95,113)(H,96,117)(H,97,111)(H,98,109)(H,99,118)(H,100,112)(H,120,121)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 ZZFMVZAJLHDUCD-DMJQPPRDSA-N 50229987 CHEMBL4095948 Coagulation factor XII 9.3 ChEMBL 10.1021/acs.jmedchem.6b01548 10.7270/Q26D5W8V 28045547 Middendorp, SJ; Wilbs, J; Quarroz, C; Calzavarini, S; Angelillo-Scherrer, A; Heinis, C Ecole Polytechnique F�d�rale de Lausanne (EPFL) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229987&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137654573 383542890 CHEMBL4095948 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50678590 COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 50063669 CHEMBL3398641 Coagulation factor XII >3050 ChEMBL 10.1021/acs.jmedchem.6b01460 10.7270/Q25D8V31 28085275 Corte, JR; Fang, T; Osuna, H; Pinto, DJ; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Harper, TW; Bozarth, JM; Wu, Y; Luettgen, JM; Seiffert, DA; Decicco, CP; Wexler, RR; Quan, ML Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50063669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50063669&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 57976401 313071094 CHEMBL3398641 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50678692 COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 LCHKINZSWVDWJQ-XYWZPVONSA-N 50230322 CHEMBL4071545 Coagulation factor XII >3050 ChEMBL 10.1021/acs.jmedchem.6b01460 10.7270/Q25D8V31 28085275 Corte, JR; Fang, T; Osuna, H; Pinto, DJ; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Harper, TW; Bozarth, JM; Wu, Y; Luettgen, JM; Seiffert, DA; Decicco, CP; Wexler, RR; Quan, ML Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50230322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50230322&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 7DS 5TKT 66744646 383543026 CHEMBL4071545 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50678693 COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 47108 US10487086, Example 10::US11136327, Example 10::US8828983, 10::US8940720, 10::US9802939, 10 Coagulation factor XII >3050 ChEMBL 10.1021/acs.jmedchem.6b01460 10.7270/Q25D8V31 28085275 Corte, JR; Fang, T; Osuna, H; Pinto, DJ; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Harper, TW; Bozarth, JM; Wu, Y; Luettgen, JM; Seiffert, DA; Decicco, CP; Wexler, RR; Quan, ML Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47108&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9EY 5Q0D 53341037 251973434 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50806625 CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C InChI=1S/C114H161N29O28S3/c1-10-62(4)94-107(166)136-85(101(160)124-63(5)108(167)141(9)53-91(151)140(8)52-90(150)139(7)51-89(149)126-75(22-16-39-122-113(117)118)95(154)128-77(111(170)171)23-17-40-123-114(119)120)59-173-56-70-43-69-44-71(45-70)57-174-60-86(103(162)137-93(61(2)3)106(165)131-79(47-67-27-33-73(147)34-28-67)98(157)132-82(49-68-29-35-74(148)36-30-68)109(168)142-41-18-24-87(142)104(163)130-80(50-92(152)153)99(158)138-94)135-96(155)76(21-14-15-38-121-112(115)116)127-97(156)78(46-66-25-31-72(146)32-26-66)129-105(164)88-37-42-143(88)110(169)81(48-65-19-12-11-13-20-65)133-100(159)83(54-144)134-102(161)84(58-172-55-69)125-64(6)145/h11-13,19-20,25-36,43-45,61-63,75-88,93-94,144,146-148H,10,14-18,21-24,37-42,46-60H2,1-9H3,(H,124,160)(H,125,145)(H,126,149)(H,127,156)(H,128,154)(H,129,164)(H,130,163)(H,131,165)(H,132,157)(H,133,159)(H,134,161)(H,135,155)(H,136,166)(H,137,162)(H,138,158)(H,152,153)(H,170,171)(H4,115,116,121)(H4,117,118,122)(H4,119,120,123)/t62-,63-,75+,76-,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,93-,94-/m0/s1 CUGMKURPXUMGSV-PHOGTTDVSA-N 50256262 CHEMBL4070056 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.7b01625 10.7270/Q2862JW6 29517911 Teufel, DP; Bennett, G; Harrison, H; van Rietschoten, K; Pavan, S; Stace, C; Le Floch, F; Van Bergen, T; Vermassen, E; Barbeaux, P; Hu, TT; Feyen, JHM; Vanhove, M Bicycle Therapeutics Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256262&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137639385 402360661 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50806631 CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 InChI=1S/C117H160N32O28S3/c1-59(2)37-78-100(161)141-86(105(166)129-60(3)111(172)146(9)52-95(156)145(8)51-94(155)144(7)50-93(154)132-76(27-16-32-124-116(120)121)98(159)133-77(115(176)177)28-17-33-125-117(122)123)57-179-54-65-38-64-39-66(40-65)55-180-58-87(114(175)149-36-20-31-90(149)109(170)137-79(41-67-47-126-73-24-13-10-21-70(67)73)101(162)135-83(46-96(157)158)99(160)130-61(4)112(173)147-34-18-29-88(147)107(168)136-78)142-103(164)80(42-68-48-127-74-25-14-11-22-71(68)74)138-108(169)89-30-19-35-148(89)113(174)84(45-92(119)153)140-102(163)81(43-69-49-128-75-26-15-12-23-72(69)75)139-110(171)97(62(5)150)143-104(165)82(44-91(118)152)134-106(167)85(56-178-53-64)131-63(6)151/h10-15,21-26,38-40,47-49,59-62,76-90,97,126-128,150H,16-20,27-37,41-46,50-58H2,1-9H3,(H2,118,152)(H2,119,153)(H,129,166)(H,130,160)(H,131,151)(H,132,154)(H,133,159)(H,134,167)(H,135,162)(H,136,168)(H,137,170)(H,138,169)(H,139,171)(H,140,163)(H,141,161)(H,142,164)(H,143,165)(H,157,158)(H,176,177)(H4,120,121,124)(H4,122,123,125)/t60-,61-,62+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86+,87-,88-,89-,90-,97-/m0/s1 OHOYFNPMBCNOTR-QFZQKJJLSA-N 50256261 CHEMBL4059991 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.7b01625 10.7270/Q2862JW6 29517911 Teufel, DP; Bennett, G; Harrison, H; van Rietschoten, K; Pavan, S; Stace, C; Le Floch, F; Van Bergen, T; Vermassen, E; Barbeaux, P; Hu, TT; Feyen, JHM; Vanhove, M Bicycle Therapeutics Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256261&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137637214 402360660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50806813 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 InChI=1S/C76H105N19O19S3/c1-40(2)22-53-67(105)94-60(75(113)114)38-117-35-47-24-45-23-46(25-47)34-116-37-59(71(109)84-41(3)30-82-52(28-48-31-80-39-83-48)66(104)87-51(17-18-62(77)99)65(103)89-55(29-63(100)101)69(107)88-53)93-64(102)50(12-8-9-20-81-76(78)79)86-68(106)54(26-44-13-15-49(98)16-14-44)90-73(111)61-19-21-95(61)74(112)56(27-43-10-6-5-7-11-43)91-70(108)57(32-96)92-72(110)58(36-115-33-45)85-42(4)97/h5-7,10-11,13-16,23-25,31,39-41,50-61,82,96,98H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,99)(H,80,83)(H,84,109)(H,85,97)(H,86,106)(H,87,104)(H,88,107)(H,89,103)(H,90,111)(H,91,108)(H,92,110)(H,93,102)(H,94,105)(H,100,101)(H,113,114)(H4,78,79,81)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61?/m0/s1 NWSILYZBKZBZOH-SOPRAFLKSA-N 50256260 CHEMBL4094403 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.7b01625 10.7270/Q2862JW6 29517911 Teufel, DP; Bennett, G; Harrison, H; van Rietschoten, K; Pavan, S; Stace, C; Le Floch, F; Van Bergen, T; Vermassen, E; Barbeaux, P; Hu, TT; Feyen, JHM; Vanhove, M Bicycle Therapeutics Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256260&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137654508 402360659 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50784380 CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1 WYFCZWSWFGJODV-MIANJLSGSA-N 349975 (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US10208021, Example 184 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.7b01171 10.7270/Q2K64MHN 29077405 Pinto, DJP; Orwat, MJ; Smith, LM; Quan, ML; Lam, PYS; Rossi, KA; Apedo, A; Bozarth, JM; Wu, Y; Zheng, JJ; Xin, B; Toussaint, N; Stetsko, P; Gudmundsson, O; Maxwell, B; Crain, EJ; Wong, PC; Lou, Z; Harper, TW; Chacko, SA; Myers, JE; Sheriff, S; Zhang, H; Hou, X; Mathur, A; Seiffert, DA; Wexler, RR; Luettgen, JM; Ewing, WR Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=349975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=349975&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71548883 386051723 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 50830546 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCc2ccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)cc2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O InChI=1S/C38H26O38S8/c39-33-31-27(11-21(69-77(41,42)43)13-29(31)67-35(37(33)75-83(59,60)61)19-5-7-23(71-79(47,48)49)25(9-19)73-81(53,54)55)65-15-17-1-2-18(4-3-17)16-66-28-12-22(70-78(44,45)46)14-30-32(28)34(40)38(76-84(62,63)64)36(68-30)20-6-8-24(72-80(50,51)52)26(10-20)74-82(56,57)58/h1-14H,15-16H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/p-8 DDUSVFYSJIYYFC-UHFFFAOYSA-F 50260048 CHEMBL4084933 Coagulation factor XII >1000000 ChEMBL 10.1021/acs.jmedchem.6b01474 10.7270/Q2CF9SJM 27976897 Afosah, DK; Al-Horani, RA; Sankaranarayanan, NV; Desai, UR Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260048&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137647340 404339940 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118278 COc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C14H11N3O2/c1-19-11-8-6-10(7-9-11)14(18)17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3 OKOYDWMLPIMUMO-UHFFFAOYSA-N 50457201 CHEMBL1288788 Coagulation factor XII 9390 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457201&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 710644 433924468 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118279 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20) TXTSSGLLPOYFAL-UHFFFAOYSA-N 50457202 CHEMBL4207969 Coagulation factor XII 1080 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457202&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970336 433924469 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118280 Nc1nc(nn1C(=O)c1ccccc1)-c1cccnc1 InChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18) OTIFHPVRAWSQPU-UHFFFAOYSA-N 50457203 CHEMBL4208307 Coagulation factor XII 600 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457203&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3613559 433924470 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118281 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18) IBVNBVQKMBGFOA-UHFFFAOYSA-N 33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825 Coagulation factor XII 430 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969825 252616755 ZINC00608934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118282 Nc1nc(nn1C(=O)c1cccc(c1)[N+]([O-])=O)-c1cccnc1 InChI=1S/C14H10N6O3/c15-14-17-12(10-4-2-6-16-8-10)18-19(14)13(21)9-3-1-5-11(7-9)20(22)23/h1-8H,(H2,15,17,18) DQZVZHJKNWSKMT-UHFFFAOYSA-N 50457204 CHEMBL4212867 Coagulation factor XII 8370 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457204&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 8072667 433924471 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118283 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20) TXTSSGLLPOYFAL-UHFFFAOYSA-N 50457202 CHEMBL4207969 Coagulation factor XII 160 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457202&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970336 433924469 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118284 Brc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C13H8BrN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H HJPNHGVNYCBIIB-UHFFFAOYSA-N 50457205 CHEMBL4217303 Coagulation factor XII 600 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457205&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 693001 433924472 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118285 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19) AKDDPMDJFJJCDW-UHFFFAOYSA-N 50457206 CHEMBL4216765 Coagulation factor XII 400 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457206&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971729 433924473 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118286 Nc1nc(nn1C(=O)c1ccccc1)-c1cccnc1 InChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18) OTIFHPVRAWSQPU-UHFFFAOYSA-N 50457203 CHEMBL4208307 Coagulation factor XII 210 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457203&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3613559 433924470 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118287 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19) YLUMVCNEFHTQHD-UHFFFAOYSA-N 33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668 Coagulation factor XII 680 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971668 252616506 ZINC00611571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118288 COc1cccc(\C=C(/C#N)c2nc3ccccc3[nH]2)c1 InChI=1S/C17H13N3O/c1-21-14-6-4-5-12(10-14)9-13(11-18)17-19-15-7-2-3-8-16(15)20-17/h2-10H,1H3,(H,19,20)/b13-9+ RDSCFLMCSMCAAM-UKTHLTGXSA-N 50457207 CHEMBL4215216 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457207&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5769082 433924474 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118289 COC(=O)c1ccc(\C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 InChI=1S/C19H15N3O2/c1-12-3-8-16-17(9-12)22-18(21-16)15(11-20)10-13-4-6-14(7-5-13)19(23)24-2/h3-10H,1-2H3,(H,21,22)/b15-10+ KXXOZUYRZVMOIJ-XNTDXEJSSA-N 50457208 CHEMBL4206846 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457208&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5769514 433924475 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118290 N#C\C(=C/c1ccccc1)c1nc2ccccc2[nH]1 InChI=1S/C16H11N3/c17-11-13(10-12-6-2-1-3-7-12)16-18-14-8-4-5-9-15(14)19-16/h1-10H,(H,18,19)/b13-10+ YASZPDZHYPEICO-JLHYYAGUSA-N 50457209 CHEMBL4202629 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457209&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5463326 433924476 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118291 Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1 InChI=1S/C17H13N3/c1-12-6-8-13(9-7-12)10-14(11-18)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3,(H,19,20)/b14-10+ KMNSBYJUTHMOPK-GXDHUFHOSA-N 50457210 CHEMBL1163357 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457210&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5711085 433924477 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118292 Cc1cc(C)n(n1)C(=O)c1ccco1 InChI=1S/C10H10N2O2/c1-7-6-8(2)12(11-7)10(13)9-4-3-5-14-9/h3-6H,1-2H3 LLJSRUPSMPLORG-UHFFFAOYSA-N 50457211 CHEMBL4205076 Coagulation factor XII 43590 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457211&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 786123 433924478 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118293 [O-][N+](=O)c1cccc(c1)C(=O)n1nnc2ccccc12 InChI=1S/C13H8N4O3/c18-13(9-4-3-5-10(8-9)17(19)20)16-12-7-2-1-6-11(12)14-15-16/h1-8H MXXZHDYGAKNXLA-UHFFFAOYSA-N 50457212 CHEMBL4207366 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457212&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 710710 433924479 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118294 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19) AKDDPMDJFJJCDW-UHFFFAOYSA-N 50457206 CHEMBL4216765 Coagulation factor XII 50 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457206&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971729 433924473 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118295 O=C(c1ccco1)n1nnc2ccccc12 InChI=1S/C11H7N3O2/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H AFORMRZDGRLVBW-UHFFFAOYSA-N 50457213 CHEMBL4217931 Coagulation factor XII 34100 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457213&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 792914 433924480 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118296 COc1cc(OC)cc(c1)C(=O)n1nnc2ccccc12 InChI=1S/C15H13N3O3/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3 FLQDVGKWMLKXAW-UHFFFAOYSA-N 50457214 CHEMBL1290554 Coagulation factor XII 25400 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457214&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 743712 433924481 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118297 COc1ccccc1C(=O)n1nnc2ccccc12 InChI=1S/C14H11N3O2/c1-19-13-9-5-2-6-10(13)14(18)17-12-8-4-3-7-11(12)15-16-17/h2-9H,1H3 NZWRTQOXOOHDTB-UHFFFAOYSA-N 50326570 (1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)methanone::CHEMBL1253491 Coagulation factor XII 7210 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326570&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 898930 123105685 CHEMBL1253491 ZINC00476927 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118298 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19) YLUMVCNEFHTQHD-UHFFFAOYSA-N 33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668 Coagulation factor XII 2630 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971668 252616506 ZINC00611571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118299 Nc1nc(nn1C(=O)c1ccccc1)-c1cccnc1 InChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18) OTIFHPVRAWSQPU-UHFFFAOYSA-N 50457203 CHEMBL4208307 Coagulation factor XII 750 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457203&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3613559 433924470 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118300 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) ZAFULIRXGRRKIP-UHFFFAOYSA-N 33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438 Coagulation factor XII 5270 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5000438 252616780 ZINC04682023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118301 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20) TXTSSGLLPOYFAL-UHFFFAOYSA-N 50457202 CHEMBL4207969 Coagulation factor XII 970 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457202&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970336 433924469 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118302 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19) YLUMVCNEFHTQHD-UHFFFAOYSA-N 33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668 Coagulation factor XII 2430 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971668 252616506 ZINC00611571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118303 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18) IBVNBVQKMBGFOA-UHFFFAOYSA-N 33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825 Coagulation factor XII 860 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969825 252616755 ZINC00608934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118304 Nc1nc(nn1C(=O)c1cccc(c1)[N+]([O-])=O)-c1ccccc1 InChI=1S/C15H11N5O3/c16-15-17-13(10-5-2-1-3-6-10)18-19(15)14(21)11-7-4-8-12(9-11)20(22)23/h1-9H,(H2,16,17,18) YSDPMQKSXIKGNI-UHFFFAOYSA-N 50457215 CHEMBL4203609 Coagulation factor XII 13480 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457215&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 974948 433924482 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118305 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) ZAFULIRXGRRKIP-UHFFFAOYSA-N 33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438 Coagulation factor XII 490 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5000438 252616780 ZINC04682023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118306 COc1ccc(cc1OC)C(=O)n1nnc2ccccc12 InChI=1S/C15H13N3O3/c1-20-13-8-7-10(9-14(13)21-2)15(19)18-12-6-4-3-5-11(12)16-17-18/h3-9H,1-2H3 GCEWJBIDLIIRAB-UHFFFAOYSA-N 32806 1-benzotriazolyl-(3,4-dimethoxyphenyl)methanone::MLS000392028::SMR000102548::benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone::cid_743706 Coagulation factor XII 26700 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32806&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 743706 252615942 ZINC00183708 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118307 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18) IBVNBVQKMBGFOA-UHFFFAOYSA-N 33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825 Coagulation factor XII 830 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969825 252616755 ZINC00608934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118308 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)15(22)21-16(17)19-14(20-21)11-4-3-7-18-9-11/h3-9H,1-2H3,(H2,17,19,20) TXTSSGLLPOYFAL-UHFFFAOYSA-N 50457202 CHEMBL4207969 Coagulation factor XII 190 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457202&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 970336 433924469 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118309 Cc1ccc2nc([nH]c2c1)C(=C\c1ccccc1)\C#N InChI=1S/C17H13N3/c1-12-7-8-15-16(9-12)20-17(19-15)14(11-18)10-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20)/b14-10+ NRCCRFCRDDVDSV-GXDHUFHOSA-N 50457216 CHEMBL4211728 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457216&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5738808 433924483 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118310 Nc1nc(nn1C(=O)c1ccccc1)-c1cccnc1 InChI=1S/C14H11N5O/c15-14-17-12(11-7-4-8-16-9-11)18-19(14)13(20)10-5-2-1-3-6-10/h1-9H,(H2,15,17,18) OTIFHPVRAWSQPU-UHFFFAOYSA-N 50457203 CHEMBL4208307 Coagulation factor XII 810 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457203&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3613559 433924470 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118311 COc1ccc(\C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 InChI=1S/C18H15N3O/c1-12-3-8-16-17(9-12)21-18(20-16)14(11-19)10-13-4-6-15(22-2)7-5-13/h3-10H,1-2H3,(H,20,21)/b14-10+ IIHIUZKFBWYACL-GXDHUFHOSA-N 50457217 CHEMBL4210280 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457217&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5284931 433924484 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118312 COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC InChI=1S/C18H15N3O2/c1-22-16-8-7-12(10-17(16)23-2)9-13(11-19)18-20-14-5-3-4-6-15(14)21-18/h3-10H,1-2H3,(H,20,21)/b13-9+ SIPOTHFKLAFEAC-UKTHLTGXSA-N 50360399 CHEMBL1933870 Coagulation factor XII >50000 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50360399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50360399&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5289928 136964461 CHEMBL1933870 ZINC12367931 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118313 Clc1ccc(cc1)C(=O)n1nnc2ccccc12 InChI=1S/C13H8ClN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H BLJBQVQHDXUDTE-UHFFFAOYSA-N 50457218 CHEMBL4212996 Coagulation factor XII 31700 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457218&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 746939 433924485 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118314 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) ZAFULIRXGRRKIP-UHFFFAOYSA-N 33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438 Coagulation factor XII 4970 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5000438 252616780 ZINC04682023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118315 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19) AKDDPMDJFJJCDW-UHFFFAOYSA-N 50457206 CHEMBL4216765 Coagulation factor XII 1230 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457206&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971729 433924473 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118316 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19) ZAFULIRXGRRKIP-UHFFFAOYSA-N 33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438 Coagulation factor XII 5830 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 5000438 252616780 ZINC04682023 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118317 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19) YLUMVCNEFHTQHD-UHFFFAOYSA-N 33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668 Coagulation factor XII 1850 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971668 252616506 ZINC00611571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118318 Brc1ccc(o1)C(=O)n1nnc2ccccc12 InChI=1S/C11H6BrN3O2/c12-10-6-5-9(17-10)11(16)15-8-4-2-1-3-7(8)13-14-15/h1-6H IKNULUNMDGUJRH-UHFFFAOYSA-N 50457219 CHEMBL4212345 Coagulation factor XII 1960 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457219&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 871570 433924486 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118319 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18) IBVNBVQKMBGFOA-UHFFFAOYSA-N 33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825 Coagulation factor XII 320 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 969825 252616755 ZINC00608934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51118320 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)14(21)20-15(16)18-13(19-20)11-3-2-8-17-9-11/h2-9H,1H3,(H2,16,18,19) AKDDPMDJFJJCDW-UHFFFAOYSA-N 50457206 CHEMBL4216765 Coagulation factor XII 1190 ChEMBL 10.1016/j.ejmech.2017.08.056 10.7270/Q20G3NR9 28918098 Chen, JJF; Visco, DP The University of Akron http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50457206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50457206&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 971729 433924473 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51258675 Cl.Cl.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 InChI=1S/C31H30ClFN6O4.2ClH/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40;;/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40);2*1H/t17-,23+;;/m1../s1 GRFBPSQUHXGFOO-VQRJTFEDSA-N 50514432 CHEMBL4438385 Coagulation factor XII 2530 ChEMBL 10.1021/acs.jmedchem.9b01768 10.7270/Q2J67M9S 31833761 Corte, JR; Pinto, DJP; Fang, T; Osuna, H; Yang, W; Wang, Y; Lai, A; Clark, CG; Sun, JH; Rampulla, R; Mathur, A; Kaspady, M; Neithnadka, PR; Li, YC; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Harper, TW; Huang, C; Zheng, JJ; Bozarth, JM; Wu, Y; Wong, PC; Crain, EJ; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Bristol-Myers Squibb Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50514432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50514432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155512946 440723014 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51229141 CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C\C4=N/OCC3(C)COC3)CC[C@H]12 InChI=1S/C27H43NO4/c1-6-31-22(29)26(5)11-7-10-25(4)19(26)9-13-27-14-21(24(3,15-27)12-8-20(25)27)28-32-18-23(2)16-30-17-23/h19-20H,6-18H2,1-5H3/b28-21+/t19-,20-,24-,25+,26+,27-/m0/s1 MKKNODUCOLIUJT-DPZKWCDVSA-N 50504368 CHEMBL4435573 Coagulation factor XII 7643 ChEMBL 10.1016/j.ejmech.2019.111722 10.7270/Q2891943 31563807 Chen, P; Zhang, D; Li, M; Wu, Q; Lam, YPY; Guo, Y; Chen, C; Bai, N; Malhotra, S; Li, W; O'Connor, PB; Fu, H Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50504368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50504368&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155511394 440712953 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51229146 CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C\C4=N/OCc3ccsc3)CC[C@H]12 InChI=1S/C27H39NO3S/c1-5-30-23(29)26(4)11-6-10-25(3)20(26)8-13-27-15-22(24(2,18-27)12-7-21(25)27)28-31-16-19-9-14-32-17-19/h9,14,17,20-21H,5-8,10-13,15-16,18H2,1-4H3/b28-22+/t20-,21-,24-,25+,26+,27-/m0/s1 BYWYOMPEDCPVLV-UZDFUANBSA-N 50504369 CHEMBL4439549 Coagulation factor XII 9290 ChEMBL 10.1016/j.ejmech.2019.111722 10.7270/Q2891943 31563807 Chen, P; Zhang, D; Li, M; Wu, Q; Lam, YPY; Guo, Y; Chen, C; Bai, N; Malhotra, S; Li, W; O'Connor, PB; Fu, H Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50504369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50504369&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155513907 440712954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51240263 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 InChI=1S/C142H224N50O46S6/c1-8-68(5)110-136(236)182-81(44-67(3)4)124(224)176-75(24-13-15-37-143)118(218)173-76(25-14-16-38-144)121(221)186-92-62-240-242-64-94-133(233)172-74(26-17-39-155-139(147)148)113(213)161-54-104(203)169-84(47-99(146)198)114(214)162-55-103(202)168-83(46-72-31-33-73(196)34-32-72)125(225)185-91-61-239-244-66-96(189-128(228)87(50-109(210)211)181-130(230)90(60-195)183-127(227)86(49-108(208)209)180-120(220)78(28-19-41-157-141(151)152)174-119(219)77(177-131(92)231)27-18-40-156-140(149)150)138(238)192-43-21-30-97(192)135(235)165-53-101(200)166-70(7)112(212)184-95(134(234)191-111(69(6)9-2)137(237)188-94)65-243-241-63-93(132(232)178-80(35-36-98(145)197)122(222)175-79(123(223)190-110)29-20-42-158-142(153)154)187-126(226)82(45-71-22-11-10-12-23-71)167-102(201)52-159-100(199)51-160-115(215)85(48-107(206)207)179-129(229)89(59-194)171-106(205)56-163-116(216)88(58-193)170-105(204)57-164-117(91)217/h10-12,22-23,31-34,67-70,74-97,110-111,193-196H,8-9,13-21,24-30,35-66,143-144H2,1-7H3,(H2,145,197)(H2,146,198)(H,159,199)(H,160,215)(H,161,213)(H,162,214)(H,163,216)(H,164,217)(H,165,235)(H,166,200)(H,167,201)(H,168,202)(H,169,203)(H,170,204)(H,171,205)(H,172,233)(H,173,218)(H,174,219)(H,175,222)(H,176,224)(H,177,231)(H,178,232)(H,179,229)(H,180,220)(H,181,230)(H,182,236)(H,183,227)(H,184,212)(H,185,225)(H,186,221)(H,187,226)(H,188,237)(H,189,228)(H,190,223)(H,191,234)(H,206,207)(H,208,209)(H,210,211)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t68-,69-,70-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,110-,111-/m0/s1 WONGRAWCJSVHOJ-GYRZNHFHSA-N 50507481 CHEMBL4564063 Coagulation factor XII >10000 ChEMBL 10.1021/acsmedchemlett.8b00422 10.7270/Q2Q81HCD 30613336 Swedberg, JE; Ghani, HA; Harris, JM; de Veer, SJ; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50507481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50507481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155559920 440716066 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51240272 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 InChI=1S/C138H208N44O50S6/c1-8-63(5)109-135(230)172-76(39-62(3)4)123(218)166-71(26-31-93(140)187)118(213)165-75(30-35-97(144)191)121(216)176-87-57-234-236-59-89-132(227)162-69(19-13-14-36-139)112(207)151-49-103(197)159-79(42-98(145)192)113(208)152-50-102(196)158-78(41-67-22-24-68(186)25-23-67)124(219)175-86-56-233-238-61-91(179-127(222)82(45-108(204)205)171-129(224)85(55-185)173-126(221)81(44-107(202)203)170-120(215)74(29-34-96(143)190)164-119(214)73(168-130(87)225)28-33-95(142)189)137(232)182-38-16-21-92(182)134(229)155-48-100(194)156-65(7)111(206)174-90(133(228)181-110(64(6)9-2)136(231)178-89)60-237-235-58-88(131(226)167-72(27-32-94(141)188)117(212)163-70(122(217)180-109)20-15-37-148-138(146)147)177-125(220)77(40-66-17-11-10-12-18-66)157-101(195)47-149-99(193)46-150-114(209)80(43-106(200)201)169-128(223)84(54-184)161-105(199)51-153-115(210)83(53-183)160-104(198)52-154-116(86)211/h10-12,17-18,22-25,62-65,69-92,109-110,183-186H,8-9,13-16,19-21,26-61,139H2,1-7H3,(H2,140,187)(H2,141,188)(H2,142,189)(H2,143,190)(H2,144,191)(H2,145,192)(H,149,193)(H,150,209)(H,151,207)(H,152,208)(H,153,210)(H,154,211)(H,155,229)(H,156,194)(H,157,195)(H,158,196)(H,159,197)(H,160,198)(H,161,199)(H,162,227)(H,163,212)(H,164,214)(H,165,213)(H,166,218)(H,167,226)(H,168,225)(H,169,223)(H,170,215)(H,171,224)(H,172,230)(H,173,221)(H,174,206)(H,175,219)(H,176,216)(H,177,220)(H,178,231)(H,179,222)(H,180,217)(H,181,228)(H,200,201)(H,202,203)(H,204,205)(H4,146,147,148)/t63-,64-,65-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,109-,110-/m0/s1 KHTRPJFHQNRISN-SUQRTAHISA-N 50507482 CHEMBL4531700 Coagulation factor XII >10000 ChEMBL 10.1021/acsmedchemlett.8b00422 10.7270/Q2Q81HCD 30613336 Swedberg, JE; Ghani, HA; Harris, JM; de Veer, SJ; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50507482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50507482&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155546346 440716067 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51257896 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C35H46N6O4S/c36-33(37)30-17-14-28(15-18-30)24-39-34(42)31(19-16-27-20-22-38-23-21-27)40-35(43)32(13-7-12-26-8-3-1-4-9-26)41-46(44,45)25-29-10-5-2-6-11-29/h1-6,8-11,14-15,17-18,27,31-32,38,41H,7,12-13,16,19-25H2,(H3,36,37)(H,39,42)(H,40,43)/t31-,32+/m0/s1 MCDKKKIUEGNSPK-AJQTZOPKSA-N 108110 US8598206, Table 6, 19 Coagulation factor XII >130 ChEMBL 10.1021/acs.jmedchem.9b01060 10.7270/Q2VQ361P 31658420 Steinmetzer, T; Pilgram, O; Wenzel, BM; Wiedemeyer, SJA Philipps University Marburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108110&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345652 186524980 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51257897 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1 DIFGLRSYVDIDJS-JHOUSYSJSA-N 108098 US8598206, Table 6, 7 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.9b01060 10.7270/Q2VQ361P 31658420 Steinmetzer, T; Pilgram, O; Wenzel, BM; Wiedemeyer, SJA Philipps University Marburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108098&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 53345968 186524968 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51269145 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 InChI=1S/C72H107N19O18S2/c1-3-40(2)58-68(106)87-52-39-111-110-38-51(86-60(98)44(19-11-29-77-72(75)76)79-56(94)36-78-59(97)48(35-57(95)96)83-66(104)53-20-12-30-89(53)70(108)49(84-65(52)103)34-41-15-5-4-6-16-41)64(102)82-47(33-42-23-25-43(93)26-24-42)62(100)80-45(17-7-9-27-73)61(99)85-50(37-92)63(101)81-46(18-8-10-28-74)69(107)91-32-14-22-55(91)71(109)90-31-13-21-54(90)67(105)88-58/h4-6,15-16,23-26,40,44-55,58,92-93H,3,7-14,17-22,27-39,73-74H2,1-2H3,(H,78,97)(H,79,94)(H,80,100)(H,81,101)(H,82,102)(H,83,104)(H,84,103)(H,85,99)(H,86,98)(H,87,106)(H,88,105)(H,95,96)(H4,75,76,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 NMQUIMIHINHOMQ-FROOAQRNSA-N 50518240 CHEMBL4439523 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.8b01139 10.7270/Q2MS3X3S 30520638 Swedberg, JE; Wu, G; Mahatmanto, T; Durek, T; Caradoc-Davies, TT; Whisstock, JC; Law, RHP; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50518240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50518240&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155514020 440726822 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51269159 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)CC InChI=1S/C72H106N18O18S2/c1-5-39(3)57-68(105)85-51-38-110-109-37-50(84-60(97)44(19-12-28-76-72(74)75)78-55(93)35-77-59(96)47(34-56(94)95)81-66(103)52-20-13-29-88(52)69(106)48(82-65(51)102)33-41-16-8-7-9-17-41)64(101)80-46(32-42-23-25-43(92)26-24-42)62(99)79-45(18-10-11-27-73)61(98)83-49(36-91)63(100)87-58(40(4)6-2)71(108)90-31-15-22-54(90)70(107)89-30-14-21-53(89)67(104)86-57/h7-9,16-17,23-26,39-40,44-54,57-58,91-92H,5-6,10-15,18-22,27-38,73H2,1-4H3,(H,77,96)(H,78,93)(H,79,99)(H,80,101)(H,81,103)(H,82,102)(H,83,98)(H,84,97)(H,85,105)(H,86,104)(H,87,100)(H,94,95)(H4,74,75,76)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1 LIELEUWQJRVBAG-IEBOQBBFSA-N 50518249 CHEMBL4588827 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.8b01139 10.7270/Q2MS3X3S 30520638 Swedberg, JE; Wu, G; Mahatmanto, T; Durek, T; Caradoc-Davies, TT; Whisstock, JC; Law, RHP; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50518249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50518249&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155567613 440726831 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51269168 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 QQBRBPSSMDPLLA-GECFALDLSA-N 50124947 CHEMBL453539 Coagulation factor XII 130000 ChEMBL 10.1021/acs.jmedchem.8b01139 10.7270/Q2MS3X3S 30520638 Swedberg, JE; Wu, G; Mahatmanto, T; Durek, T; Caradoc-Davies, TT; Whisstock, JC; Law, RHP; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124947&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24776379 104017197 CHEMBL453539 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51269171 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 InChI=1S/C72H107N21O18S2/c1-3-39(2)57-67(108)89-51-38-113-112-37-50(88-59(100)43(17-9-27-78-71(74)75)81-55(96)35-80-58(99)47(34-56(97)98)85-65(106)52-19-11-29-91(52)69(110)48(86-64(51)105)33-40-14-5-4-6-15-40)63(104)84-46(32-41-22-24-42(95)25-23-41)61(102)82-44(16-7-8-26-73)60(101)87-49(36-94)62(103)83-45(18-10-28-79-72(76)77)68(109)93-31-13-21-54(93)70(111)92-30-12-20-53(92)66(107)90-57/h4-6,14-15,22-25,39,43-54,57,94-95H,3,7-13,16-21,26-38,73H2,1-2H3,(H,80,99)(H,81,96)(H,82,102)(H,83,103)(H,84,104)(H,85,106)(H,86,105)(H,87,101)(H,88,100)(H,89,108)(H,90,107)(H,97,98)(H4,74,75,78)(H4,76,77,79)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 QNIDBHORVMQSDP-UFUSHNEESA-N 50518241 CHEMBL4569923 Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.8b01139 10.7270/Q2MS3X3S 30520638 Swedberg, JE; Wu, G; Mahatmanto, T; Durek, T; Caradoc-Davies, TT; Whisstock, JC; Law, RHP; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50518241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50518241&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155551858 440726823 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51274225 NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 InChI=1S/C69H93ClN18O22S2/c70-37-16-14-36(15-17-37)28-42-60(102)83-45(32-89)61(103)79-41(20-23-54(94)95)66(108)88-27-7-13-50(88)68(110)87-26-6-12-49(87)64(106)78-40(19-22-53(92)93)59(101)85-47-34-112-111-33-46(62(104)77-39(58(100)80-42)18-21-51(71)90)84-57(99)38(10-4-24-74-69(72)73)76-52(91)31-75-56(98)43(30-55(96)97)81-65(107)48-11-5-25-86(48)67(109)44(82-63(47)105)29-35-8-2-1-3-9-35/h1-3,8-9,14-17,38-50,89H,4-7,10-13,18-34H2,(H2,71,90)(H,75,98)(H,76,91)(H,77,104)(H,78,106)(H,79,103)(H,80,100)(H,81,107)(H,82,105)(H,83,102)(H,84,99)(H,85,101)(H,92,93)(H,94,95)(H,96,97)(H4,72,73,74)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 KKRGXDSPEUYYKM-XIQIEEFNSA-N 50520049 CHEMBL4560112 Coagulation factor XII >10000 ChEMBL 10.1021/acs.jmedchem.9b01811 10.7270/Q2RX9GG7 31855419 Li, CY; Yap, K; Swedberg, JE; Craik, DJ; de Veer, SJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50520049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50520049&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155558248 440728631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51274226 NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(cc3)[N+]([O-])=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 InChI=1S/C69H93N19O24S2/c70-51(90)21-18-39-58(100)79-42(28-36-14-16-37(17-15-36)88(111)112)60(102)82-45(32-89)61(103)78-41(20-23-54(94)95)66(108)87-27-7-13-50(87)68(110)86-26-6-12-49(86)64(106)77-40(19-22-53(92)93)59(101)84-47-34-114-113-33-46(62(104)76-39)83-57(99)38(10-4-24-73-69(71)72)75-52(91)31-74-56(98)43(30-55(96)97)80-65(107)48-11-5-25-85(48)67(109)44(81-63(47)105)29-35-8-2-1-3-9-35/h1-3,8-9,14-17,38-50,89H,4-7,10-13,18-34H2,(H2,70,90)(H,74,98)(H,75,91)(H,76,104)(H,77,106)(H,78,103)(H,79,100)(H,80,107)(H,81,105)(H,82,102)(H,83,99)(H,84,101)(H,92,93)(H,94,95)(H,96,97)(H4,71,72,73)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 MBGPBHRYFCMIPN-XIQIEEFNSA-N 50520061 CHEMBL4556207 Coagulation factor XII >10000 ChEMBL 10.1021/acs.jmedchem.9b01811 10.7270/Q2RX9GG7 31855419 Li, CY; Yap, K; Swedberg, JE; Craik, DJ; de Veer, SJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50520061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50520061&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155557259 440728643 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51274237 Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)cc1 InChI=1S/C70H96N18O22S2/c1-36-15-17-38(18-16-36)29-43-61(102)83-46(33-89)62(103)79-42(21-24-55(94)95)67(108)88-28-8-14-51(88)69(110)87-27-7-13-50(87)65(106)78-41(20-23-54(92)93)60(101)85-48-35-112-111-34-47(63(104)77-40(59(100)80-43)19-22-52(71)90)84-58(99)39(11-5-25-74-70(72)73)76-53(91)32-75-57(98)44(31-56(96)97)81-66(107)49-12-6-26-86(49)68(109)45(82-64(48)105)30-37-9-3-2-4-10-37/h2-4,9-10,15-18,39-51,89H,5-8,11-14,19-35H2,1H3,(H2,71,90)(H,75,98)(H,76,91)(H,77,104)(H,78,106)(H,79,103)(H,80,100)(H,81,107)(H,82,105)(H,83,102)(H,84,99)(H,85,101)(H,92,93)(H,94,95)(H,96,97)(H4,72,73,74)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 FVFSUZHBTIUSFU-YERRWYKUSA-N 50520060 CHEMBL4465306 Coagulation factor XII >10000 ChEMBL 10.1021/acs.jmedchem.9b01811 10.7270/Q2RX9GG7 31855419 Li, CY; Yap, K; Swedberg, JE; Craik, DJ; de Veer, SJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50520060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50520060&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155531124 440728642 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51274246 NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(I)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 InChI=1S/C69H93IN18O22S2/c70-37-16-14-36(15-17-37)28-42-60(102)83-45(32-89)61(103)79-41(20-23-54(94)95)66(108)88-27-7-13-50(88)68(110)87-26-6-12-49(87)64(106)78-40(19-22-53(92)93)59(101)85-47-34-112-111-33-46(62(104)77-39(58(100)80-42)18-21-51(71)90)84-57(99)38(10-4-24-74-69(72)73)76-52(91)31-75-56(98)43(30-55(96)97)81-65(107)48-11-5-25-86(48)67(109)44(82-63(47)105)29-35-8-2-1-3-9-35/h1-3,8-9,14-17,38-50,89H,4-7,10-13,18-34H2,(H2,71,90)(H,75,98)(H,76,91)(H,77,104)(H,78,106)(H,79,103)(H,80,100)(H,81,107)(H,82,105)(H,83,102)(H,84,99)(H,85,101)(H,92,93)(H,94,95)(H,96,97)(H4,72,73,74)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 SVSJASXLAQMOSX-XIQIEEFNSA-N 50520052 CHEMBL4554739 Coagulation factor XII >10000 ChEMBL 10.1021/acs.jmedchem.9b01811 10.7270/Q2RX9GG7 31855419 Li, CY; Yap, K; Swedberg, JE; Craik, DJ; de Veer, SJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50520052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50520052&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155556110 440728634 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318068 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN InChI=1S/C147H225N51O47S6/c1-6-70(3)115-140(241)187-88(48-75-54-165-78-25-12-11-24-77(75)78)130(231)181-80(26-13-15-39-148)122(223)179-81(27-14-16-40-149)125(226)192-97-65-247-249-67-99-136(237)178-79(28-17-41-161-144(153)154)118(219)167-57-109(209)175-89(49-104(152)204)119(220)168-58-108(208)174-86(47-74-33-35-76(202)36-34-74)128(229)191-96(121(222)170-60-110(210)176-93(61-199)120(221)169-59-111(211)177-94(62-200)133(234)188-92(143(244)245)52-114(216)217)64-246-251-69-101(195-132(233)91(51-113(214)215)186-134(235)95(63-201)189-131(232)90(50-112(212)213)185-124(225)83(30-19-43-163-146(157)158)180-123(224)82(183-135(97)236)29-18-42-162-145(155)156)142(243)198-45-21-32-102(198)139(240)171-56-106(206)172-72(5)117(218)190-100(138(239)197-116(71(4)7-2)141(242)194-99)68-250-248-66-98(193-126(227)85(37-38-103(151)203)173-107(207)55-166-105(205)53-150)137(238)184-87(46-73-22-9-8-10-23-73)129(230)182-84(127(228)196-115)31-20-44-164-147(159)160/h8-12,22-25,33-36,54,70-72,79-102,115-116,165,199-202H,6-7,13-21,26-32,37-53,55-69,148-150H2,1-5H3,(H2,151,203)(H2,152,204)(H,166,205)(H,167,219)(H,168,220)(H,169,221)(H,170,222)(H,171,240)(H,172,206)(H,173,207)(H,174,208)(H,175,209)(H,176,210)(H,177,211)(H,178,237)(H,179,223)(H,180,224)(H,181,231)(H,182,230)(H,183,236)(H,184,238)(H,185,225)(H,186,235)(H,187,241)(H,188,234)(H,189,232)(H,190,218)(H,191,229)(H,192,226)(H,193,227)(H,194,242)(H,195,233)(H,196,228)(H,197,239)(H,212,213)(H,214,215)(H,216,217)(H,244,245)(H4,153,154,161)(H4,155,156,162)(H4,157,158,163)(H4,159,160,164)/t70-,71-,72-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98+,99-,100+,101-,102-,115-,116-/m0/s1 OPNKQHQUGQXDBT-DDFJWNRVSA-N 50533533 CHEMBL4449980 Coagulation factor XII 510 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533533&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155520916 440742115 C02715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318084 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN InChI=1S/C136H222N50O48S6/c1-8-63(5)104-129(230)174-75(39-62(3)4)117(218)169-69(19-10-12-32-137)111(212)167-70(20-11-13-33-138)114(215)180-86-57-236-238-59-88-125(226)166-68(21-14-34-150-133(142)143)107(208)155-48-98(198)163-77(41-93(141)193)108(209)156-49-97(197)162-76(40-66-26-28-67(191)29-27-66)118(219)179-85(110(211)158-51-99(199)164-81(52-187)109(210)157-50-100(200)165-82(53-188)121(222)175-80(132(233)234)44-103(205)206)56-235-240-61-90(183-120(221)79(43-102(203)204)173-123(224)84(55-190)176-119(220)78(42-101(201)202)172-113(214)72(23-16-36-152-135(146)147)168-112(213)71(171-124(86)225)22-15-35-151-134(144)145)131(232)186-38-18-25-91(186)128(229)159-47-95(195)160-65(7)106(207)178-89(127(228)185-105(64(6)9-2)130(231)182-88)60-239-237-58-87(181-115(216)74(30-31-92(140)192)161-96(196)46-154-94(194)45-139)126(227)177-83(54-189)122(223)170-73(116(217)184-104)24-17-37-153-136(148)149/h26-29,62-65,68-91,104-105,187-191H,8-25,30-61,137-139H2,1-7H3,(H2,140,192)(H2,141,193)(H,154,194)(H,155,208)(H,156,209)(H,157,210)(H,158,211)(H,159,229)(H,160,195)(H,161,196)(H,162,197)(H,163,198)(H,164,199)(H,165,200)(H,166,226)(H,167,212)(H,168,213)(H,169,218)(H,170,223)(H,171,225)(H,172,214)(H,173,224)(H,174,230)(H,175,222)(H,176,220)(H,177,227)(H,178,207)(H,179,219)(H,180,215)(H,181,216)(H,182,231)(H,183,221)(H,184,217)(H,185,228)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)(H4,148,149,153)/t63-,64-,65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86-,87+,88-,89+,90-,91-,104-,105-/m0/s1 LCMSWGVHKJDKHX-ZFWCQMGFSA-N 50533534 CHEMBL4446504 Coagulation factor XII 2160 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533534&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155518671 440742116 C02715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318085 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 IWNWXPRWSFWNMU-GYSAZADJSA-N 50533536 CHEMBL4483694 Coagulation factor XII 750 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533536&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155540666 440742118 C02715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318086 CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O InChI=1S/C28H45N11O6/c1-17(41)36-21(11-12-23(29)42)25(44)38-20(10-6-14-35-28(32)33)24(43)39-22(15-18-7-3-2-4-8-18)26(45)37-19(16-40)9-5-13-34-27(30)31/h2-4,7-8,16,19-22H,5-6,9-15H2,1H3,(H2,29,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)(H4,30,31,34)(H4,32,33,35)/t19-,20-,21-,22-/m0/s1 UKMUINAUAULENG-CMOCDZPBSA-N 50533538 CHEMBL4577000 Coagulation factor XII 180 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533538&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155554002 440742120 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318106 CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C=O InChI=1S/C22H41N11O7/c1-12(36)30-15(6-7-17(23)37)19(39)32-14(5-3-9-29-22(26)27)18(38)33-16(11-35)20(40)31-13(10-34)4-2-8-28-21(24)25/h10,13-16,35H,2-9,11H2,1H3,(H2,23,37)(H,30,36)(H,31,40)(H,32,39)(H,33,38)(H4,24,25,28)(H4,26,27,29)/t13-,14-,15-,16-/m0/s1 GQFCPMGWRDSFJA-VGWMRTNUSA-N 50533539 CHEMBL4470708 Coagulation factor XII 2390 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533539&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155534627 440742121 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318111 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN InChI=1S/C142H226N50O47S6/c1-8-68(5)110-135(235)181-81(44-67(3)4)123(223)175-75(24-13-15-37-143)117(217)173-76(25-14-16-38-144)120(220)186-92-62-241-243-64-94-131(231)172-74(26-17-39-156-139(148)149)113(213)161-54-104(203)169-84(47-99(147)198)114(214)162-55-103(202)168-82(46-72-31-33-73(196)34-32-72)124(224)185-91(116(216)164-57-105(204)170-88(58-193)115(215)163-56-106(205)171-89(59-194)128(228)182-87(138(238)239)50-109(210)211)61-240-245-66-96(189-127(227)86(49-108(208)209)180-129(229)90(60-195)183-126(226)85(48-107(206)207)179-119(219)78(28-19-41-158-141(152)153)174-118(218)77(177-130(92)230)27-18-40-157-140(150)151)137(237)192-43-21-30-97(192)134(234)165-53-101(200)166-70(7)112(212)184-95(133(233)191-111(69(6)9-2)136(236)188-94)65-244-242-63-93(187-121(221)80(35-36-98(146)197)167-102(201)52-160-100(199)51-145)132(232)178-83(45-71-22-11-10-12-23-71)125(225)176-79(122(222)190-110)29-20-42-159-142(154)155/h10-12,22-23,31-34,67-70,74-97,110-111,193-196H,8-9,13-21,24-30,35-66,143-145H2,1-7H3,(H2,146,197)(H2,147,198)(H,160,199)(H,161,213)(H,162,214)(H,163,215)(H,164,216)(H,165,234)(H,166,200)(H,167,201)(H,168,202)(H,169,203)(H,170,204)(H,171,205)(H,172,231)(H,173,217)(H,174,218)(H,175,223)(H,176,225)(H,177,230)(H,178,232)(H,179,219)(H,180,229)(H,181,235)(H,182,228)(H,183,226)(H,184,212)(H,185,224)(H,186,220)(H,187,221)(H,188,236)(H,189,227)(H,190,222)(H,191,233)(H,206,207)(H,208,209)(H,210,211)(H,238,239)(H4,148,149,156)(H4,150,151,157)(H4,152,153,158)(H4,154,155,159)/t68-,69-,70-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93+,94-,95+,96-,97-,110-,111-/m0/s1 OOSAWCAECZEMCW-DJKXKCNZSA-N 50533535 CHEMBL4440685 Coagulation factor XII 110 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533535&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155514640 440742117 C02715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51318120 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCCCN InChI=1S/C151H234N52O47S6/c1-6-73(3)118-144(246)192-92(52-78-57-170-82-28-12-11-26-80(78)82)134(236)186-84(29-14-17-43-153)126(228)184-85(30-15-18-44-154)129(231)197-101-68-252-254-70-103-140(242)183-83(31-19-45-166-148(158)159)122(224)172-60-112(213)180-93(53-108(157)209)123(225)173-61-111(212)179-90(51-77-36-38-79(207)39-37-77)132(234)196-100(125(227)175-63-113(214)181-97(64-204)124(226)174-62-114(215)182-98(65-205)137(239)193-96(147(249)250)56-117(220)221)67-251-256-72-105(200-136(238)95(55-116(218)219)191-138(240)99(66-206)194-135(237)94(54-115(216)217)190-128(230)87(33-21-47-168-150(162)163)185-127(229)86(188-139(101)241)32-20-46-167-149(160)161)146(248)203-49-23-35-106(203)143(245)176-58-109(210)177-75(5)120(222)195-104(142(244)202-119(74(4)7-2)145(247)199-103)71-255-253-69-102(198-130(232)89(40-41-107(156)208)178-110(211)59-171-121(223)81(155)27-13-16-42-152)141(243)189-91(50-76-24-9-8-10-25-76)133(235)187-88(131(233)201-118)34-22-48-169-151(164)165/h8-12,24-26,28,36-39,57,73-75,81,83-106,118-119,170,204-207H,6-7,13-23,27,29-35,40-56,58-72,152-155H2,1-5H3,(H2,156,208)(H2,157,209)(H,171,223)(H,172,224)(H,173,225)(H,174,226)(H,175,227)(H,176,245)(H,177,210)(H,178,211)(H,179,212)(H,180,213)(H,181,214)(H,182,215)(H,183,242)(H,184,228)(H,185,229)(H,186,236)(H,187,235)(H,188,241)(H,189,243)(H,190,230)(H,191,240)(H,192,246)(H,193,239)(H,194,237)(H,195,222)(H,196,234)(H,197,231)(H,198,232)(H,199,247)(H,200,238)(H,201,233)(H,202,244)(H,216,217)(H,218,219)(H,220,221)(H,249,250)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t73-,74-,75-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102+,103-,104+,105-,106-,118-,119-/m0/s1 JEBHEQAGJNWHLB-OOUDVJKPSA-N 50533537 CHEMBL4590811 Coagulation factor XII 490 ChEMBL 10.1021/acs.jmedchem.6b00557 10.7270/Q29G5R98 27434175 Swedberg, JE; Mahatmanto, T; Abdul Ghani, H; de Veer, SJ; Schroeder, CI; Harris, JM; Craik, DJ The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50533537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50533537&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155568406 440742119 C02715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51289705 COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 InChI=1S/C29H30ClN5O4/c1-39-29(38)32-21-10-11-22-23(16-21)33-26(36)9-4-2-3-8-25(28-31-17-24(22)34-28)35-13-12-19(15-27(35)37)18-6-5-7-20(30)14-18/h2-3,5-7,10-11,14,16-17,19,25H,4,8-9,12-13,15H2,1H3,(H,31,34)(H,32,38)(H,33,36)/b3-2+/t19-,25-/m0/s1 YMEHWISYYMKMFO-WOMRJYOTSA-N 50525763 CHEMBL4438562 Coagulation factor XII >3050 ChEMBL 10.1016/j.bmcl.2019.08.008 10.7270/Q23F4T2C 31445854 Clark, CG; Rossi, KA; Corte, JR; Fang, T; Smallheer, JM; De Lucca, I; Nirschl, DS; Orwat, MJ; Pinto, DJP; Hu, Z; Wang, Y; Yang, W; Jeon, Y; Ewing, WR; Myers, JE; Sheriff, S; Lou, Z; Bozarth, JM; Wu, Y; Rendina, A; Harper, T; Zheng, J; Xin, B; Xiang, Q; Luettgen, JM; Seiffert, DA; Wexler, RR; Lam, PYS Bristol-Myers Squibb Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50525763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50525763&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search NR7 5QQP 139592452 440734345 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51289714 COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1 ZRELHZVMHRERCT-KXHVVKIWSA-N 50525764 CHEMBL4515523 Coagulation factor XII >3050 ChEMBL 10.1016/j.bmcl.2019.08.008 10.7270/Q23F4T2C 31445854 Clark, CG; Rossi, KA; Corte, JR; Fang, T; Smallheer, JM; De Lucca, I; Nirschl, DS; Orwat, MJ; Pinto, DJP; Hu, Z; Wang, Y; Yang, W; Jeon, Y; Ewing, WR; Myers, JE; Sheriff, S; Lou, Z; Bozarth, JM; Wu, Y; Rendina, A; Harper, T; Zheng, J; Xin, B; Xiang, Q; Luettgen, JM; Seiffert, DA; Wexler, RR; Lam, PYS Bristol-Myers Squibb Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50525764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50525764&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search NRJ 5QQO 71260387 440734346 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987527 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C32H43ClN4O4S/c33-26-15-7-8-16-29(26)41-32(40)36-17-18-37(28(22-36)30(38)34-21-25-14-9-19-42-25)31(39)27(20-23-10-3-1-4-11-23)35-24-12-5-2-6-13-24/h7-9,14-16,19,23-24,27-28,35H,1-6,10-13,17-18,20-22H2,(H,34,38)/t27-,28+/m1/s1 RTQXVZKOBHSMPO-IZLXSDGUSA-N 476344 2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 1 Coagulation factor XII 27.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476344&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263633 442076400 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987528 CN(C)CCC[C@H]1CCCN[C@H]1C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C30H42ClN5O4S/c1-20-11-12-25(26(31)21(20)2)40-30(39)35-15-16-36(24(19-35)28(37)33-18-23-10-7-17-41-23)29(38)27-22(8-5-13-32-27)9-6-14-34(3)4/h7,10-12,17,22,24,27,32H,5-6,8-9,13-16,18-19H2,1-4H3,(H,33,37)/t22-,24+,27-/m1/s1 LSUXQKGJIROUJX-RWCIVJTCSA-N 476346 2-chloro-3,4-dimethylphenyl (3S)-4- ({(2R,3R)-3-[3- (dimethylamino)propyl]piperidin-2- yl}carbonyl)-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 2 Coagulation factor XII 28.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476346&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263637 442076402 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987529 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H]2NCCC[C@@H]2CCC[N+](C)(C)C)c(Cl)c1C InChI=1S/C31H44ClN5O4S/c1-21-12-13-26(27(32)22(21)2)41-31(40)35-15-16-36(25(20-35)29(38)34-19-24-11-8-18-42-24)30(39)28-23(9-6-14-33-28)10-7-17-37(3,4)5/h8,11-13,18,23,25,28,33H,6-7,9-10,14-17,19-20H2,1-5H3/p+1/t23-,25+,28-/m1/s1 QLEBZDKWRJXENI-FKIGELJASA-O 476347 3-[(2R,3R)-2-({(2S)-4-[(2-chloro-3,4- dimethylphenoxy)carbonyl]-2- [(thiophen-2- ylmethyl)carbamoyl]piperazin-1- yl}carbonyl)piperidin-3-yl]-N,N,N- trimethylpropan-1-aminium::US10875851, Example 112::US10875851, Example 3 Coagulation factor XII 14.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476347&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257488 442076403 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987530 COc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C33H46N4O5S/c1-41-29-16-8-9-17-30(29)42-33(40)36-18-19-37(28(23-36)31(38)34-22-26-15-10-20-43-26)32(39)27(21-24-11-4-2-5-12-24)35-25-13-6-3-7-14-25/h8-10,15-17,20,24-25,27-28,35H,2-7,11-14,18-19,21-23H2,1H3,(H,34,38)/t27-,28+/m1/s1 QNOAOGRVKWRWHM-IZLXSDGUSA-N 476348 2-methoxyphenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 4 Coagulation factor XII 26.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476348&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263774 442076404 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987531 NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2ccccc2Cl)cc1 InChI=1S/C35H48ClN5O4/c36-29-13-7-8-14-32(29)45-35(44)40-19-20-41(31(24-40)33(42)38-23-27-17-15-26(22-37)16-18-27)34(43)30(21-25-9-3-1-4-10-25)39-28-11-5-2-6-12-28/h7-8,13-18,25,28,30-31,39H,1-6,9-12,19-24,37H2,(H,38,42)/t30-,31+/m1/s1 FDJNZLNJNHFXTA-JSOSNVBQSA-N 476349 2-chlorophenyl (3S)-3-{[4- (aminomethyl)benzyl]carbamoyl}-4- (N,3-dicyclohexyl-D- alanyl)piperazine-1-carboxylate::US10875851, Example 5 Coagulation factor XII 5.90 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476349&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263638 442076405 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987532 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C42H54ClN5O4S/c43-35-15-7-8-16-38(35)52-41(51)47-23-24-48(37(29-47)39(49)44-27-34-14-9-25-53-34)40(50)36(26-31-10-3-1-4-11-31)45-33-17-19-42(20-18-33)21-22-46(30-42)28-32-12-5-2-6-13-32/h2,5-9,12-16,25,31,33,36-37,45H,1,3-4,10-11,17-24,26-30H2,(H,44,49)/t33?,36-,37+,42?/m1/s1 BDXROOARTLDMIK-XLJZBHNTSA-N 476350 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 13::US10875851, Example 14::US10875851, Example 6 Coagulation factor XII 11.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476350&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263639 442076406 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987533 Oc1nnc(o1)C1CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C34H43ClN6O6S/c35-26-10-4-5-11-29(26)46-34(45)40-16-17-41(28(21-40)30(42)36-20-25-9-6-18-48-25)32(43)27(19-22-7-2-1-3-8-22)37-24-14-12-23(13-15-24)31-38-39-33(44)47-31/h4-6,9-11,18,22-24,27-28,37H,1-3,7-8,12-17,19-21H2,(H,36,42)(H,39,44)/t23?,24?,27-,28+/m1/s1 HNCMLOBFDLGECC-KXOSSASBSA-N 476351 2-chlorophenyl (3S)-4-{3-cyclohexyl- N-[4-(5-hydroxy-1,3,4-oxadiazol-2- yl)cyclohexyl]-D-alanyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 7 Coagulation factor XII 24.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476351&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263705 442076407 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987534 Brc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C32H43BrN4O4S/c33-26-15-7-8-16-29(26)41-32(40)36-17-18-37(28(22-36)30(38)34-21-25-14-9-19-42-25)31(39)27(20-23-10-3-1-4-11-23)35-24-12-5-2-6-13-24/h7-9,14-16,19,23-24,27-28,35H,1-6,10-13,17-18,20-22H2,(H,34,38)/t27-,28+/m1/s1 QKPLMSNFCSTTNE-IZLXSDGUSA-N 476352 2-bromophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 8 Coagulation factor XII 28.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476352&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263655 442076408 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987535 NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C39H51ClN6O4S/c40-32-12-4-5-14-35(32)50-38(49)45-22-23-46(34(27-45)36(47)42-25-31-11-8-24-51-31)37(48)33(13-6-7-20-41)43-30-15-17-39(18-16-30)19-21-44(28-39)26-29-9-2-1-3-10-29/h1-5,8-12,14,24,30,33-34,43H,6-7,13,15-23,25-28,41H2,(H,42,47)/t30?,33-,34+,39?/m1/s1 JGKDKJQMAPDFAN-NGSOWYGKSA-N 476353 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 9 Coagulation factor XII 24.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476353&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257573 442076409 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987536 Cc1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c1Cl InChI=1S/C33H45ClN4O4S/c1-23-10-8-16-29(30(23)34)42-33(41)37-17-18-38(28(22-37)31(39)35-21-26-15-9-19-43-26)32(40)27(20-24-11-4-2-5-12-24)36-25-13-6-3-7-14-25/h8-10,15-16,19,24-25,27-28,36H,2-7,11-14,17-18,20-22H2,1H3,(H,35,39)/t27-,28+/m1/s1 NBRLKNYXTKXGSE-IZLXSDGUSA-N 476354 2-chloro-3-methylphenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 10 Coagulation factor XII 14.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476354&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263775 442076410 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987537 CC1(CO)CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C34H47ClN4O5S/c1-34(23-40)15-13-25(14-16-34)37-28(20-24-8-3-2-4-9-24)32(42)39-18-17-38(33(43)44-30-12-6-5-11-27(30)35)22-29(39)31(41)36-21-26-10-7-19-45-26/h5-7,10-12,19,24-25,28-29,37,40H,2-4,8-9,13-18,20-23H2,1H3,(H,36,41)/t25?,28-,29+,34?/m1/s1 YBMQAWJYJBVHLV-KLDHXZRRSA-N 476355 2-chlorophenyl (3S)-4-{3-cyclohexyl- N-[4-(hydorxymethyl)-4- methylcyclohexyl]-D-alanyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 11 Coagulation factor XII 23.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476355&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263641 442076411 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987538 OCC1CCC(CC1)N[C@H](CC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C33H45ClN4O5S/c34-27-10-4-5-11-30(27)43-33(42)37-16-17-38(29(21-37)31(40)35-20-26-9-6-18-44-26)32(41)28(19-23-7-2-1-3-8-23)36-25-14-12-24(22-39)13-15-25/h4-6,9-11,18,23-25,28-29,36,39H,1-3,7-8,12-17,19-22H2,(H,35,40)/t24?,25?,28-,29+/m1/s1 HHEVYYQFGIYJBS-DTFDPYIOSA-N 476356 2-chlorophenyl (3S)-4-{3-cyclohexyl- N-[4-(hydroxymethyl)cyclohexyl]-D- alanyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 12 Coagulation factor XII 26.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476356&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263657 442076412 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987539 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C42H54ClN5O4S/c43-35-15-7-8-16-38(35)52-41(51)47-23-24-48(37(29-47)39(49)44-27-34-14-9-25-53-34)40(50)36(26-31-10-3-1-4-11-31)45-33-17-19-42(20-18-33)21-22-46(30-42)28-32-12-5-2-6-13-32/h2,5-9,12-16,25,31,33,36-37,45H,1,3-4,10-11,17-24,26-30H2,(H,44,49)/t33?,36-,37+,42?/m1/s1 BDXROOARTLDMIK-XLJZBHNTSA-N 476350 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 13::US10875851, Example 14::US10875851, Example 6 Coagulation factor XII 6.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476350&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263639 442076406 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987540 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C42H54ClN5O4S/c43-35-15-7-8-16-38(35)52-41(51)47-23-24-48(37(29-47)39(49)44-27-34-14-9-25-53-34)40(50)36(26-31-10-3-1-4-11-31)45-33-17-19-42(20-18-33)21-22-46(30-42)28-32-12-5-2-6-13-32/h2,5-9,12-16,25,31,33,36-37,45H,1,3-4,10-11,17-24,26-30H2,(H,44,49)/t33?,36-,37+,42?/m1/s1 BDXROOARTLDMIK-XLJZBHNTSA-N 476350 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 13::US10875851, Example 14::US10875851, Example 6 Coagulation factor XII 5.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476350&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263639 442076406 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987541 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)Oc1cccc2ccccc12 InChI=1S/C46H57N5O4S/c52-43(47-30-38-17-10-28-56-38)41-32-50(45(54)55-42-19-9-16-36-15-7-8-18-39(36)42)26-27-51(41)44(53)40(29-34-11-3-1-4-12-34)48-37-20-22-46(23-21-37)24-25-49(33-46)31-35-13-5-2-6-14-35/h2,5-10,13-19,28,34,37,40-41,48H,1,3-4,11-12,20-27,29-33H2,(H,47,52)/t37?,40-,41+,46?/m1/s1 XNEQJCWZCJRCEG-YCTQODCLSA-N 476359 US10875851, Example 15::US10875851, Example 17::naphthalen-1-yl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 16.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476359&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263642 442076413 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987542 NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc2ccccc12 InChI=1S/C43H54N6O4S/c44-23-7-6-16-37(46-34-18-20-43(21-19-34)22-24-47(31-43)29-32-10-2-1-3-11-32)41(51)49-26-25-48(30-38(49)40(50)45-28-35-14-9-27-54-35)42(52)53-39-17-8-13-33-12-4-5-15-36(33)39/h1-5,8-15,17,27,34,37-38,46H,6-7,16,18-26,28-31,44H2,(H,45,50)/t34?,37-,38+,43?/m1/s1 KEZATGHLZBKHDR-RSGXDSATSA-N 476360 US10875851, Example 16::naphthalen-1-yl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]pipreazine-1- carboxylate Coagulation factor XII 11.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476360&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263762 442076414 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987543 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)Oc1cccc2ccccc12 InChI=1S/C46H57N5O4S/c52-43(47-30-38-17-10-28-56-38)41-32-50(45(54)55-42-19-9-16-36-15-7-8-18-39(36)42)26-27-51(41)44(53)40(29-34-11-3-1-4-12-34)48-37-20-22-46(23-21-37)24-25-49(33-46)31-35-13-5-2-6-14-35/h2,5-10,13-19,28,34,37,40-41,48H,1,3-4,11-12,20-27,29-33H2,(H,47,52)/t37?,40-,41+,46?/m1/s1 XNEQJCWZCJRCEG-YCTQODCLSA-N 476359 US10875851, Example 15::US10875851, Example 17::naphthalen-1-yl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 8.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476359&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263642 442076413 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987544 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2cncnc12 InChI=1S/C34H44N6O4S/c41-32(36-21-27-14-8-18-45-27)29-22-39(34(43)44-30-15-7-11-25-20-35-23-37-31(25)30)16-17-40(29)33(42)28(19-24-9-3-1-4-10-24)38-26-12-5-2-6-13-26/h7-8,11,14-15,18,20,23-24,26,28-29,38H,1-6,9-10,12-13,16-17,19,21-22H2,(H,36,41)/t28-,29+/m1/s1 QEHWIUJXKLFIMB-WDYNHAJCSA-N 476362 US10875851, Example 18::quinazolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 4.50 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476362&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263690 442076415 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987545 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccccc1C#N InChI=1S/C33H43N5O4S/c34-21-25-12-7-8-16-30(25)42-33(41)37-17-18-38(29(23-37)31(39)35-22-27-15-9-19-43-27)32(40)28(20-24-10-3-1-4-11-24)36-26-13-5-2-6-14-26/h7-9,12,15-16,19,24,26,28-29,36H,1-6,10-11,13-14,17-18,20,22-23H2,(H,35,39)/t28-,29+/m1/s1 LURIFXHIXFVBHG-WDYNHAJCSA-N 476363 2-cyanophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 19 Coagulation factor XII 15.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476363&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263776 442076416 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987546 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2ccncc2c1 InChI=1S/C35H45N5O4S/c41-33(37-23-30-12-7-19-45-30)32-24-39(35(43)44-29-14-13-26-15-16-36-22-27(26)21-29)17-18-40(32)34(42)31(20-25-8-3-1-4-9-25)38-28-10-5-2-6-11-28/h7,12-16,19,21-22,25,28,31-32,38H,1-6,8-11,17-18,20,23-24H2,(H,37,41)/t31-,32+/m1/s1 ZDJUOTRIPBQSDA-ZWXJPIIXSA-N 476364 US10875851, Example 20::isoquinolin-7-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 29.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476364&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263831 442076417 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987547 NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c(Cl)c1 InChI=1S/C33H46ClN5O4S/c34-27-18-24(20-35)13-14-30(27)43-33(42)38-15-16-39(29(22-38)31(40)36-21-26-12-7-17-44-26)32(41)28(19-23-8-3-1-4-9-23)37-25-10-5-2-6-11-25/h7,12-14,17-18,23,25,28-29,37H,1-6,8-11,15-16,19-22,35H2,(H,36,40)/t28-,29+/m1/s1 ATLQYBXGIRKTBN-WDYNHAJCSA-N 476365 4-(aminomethyl)-2-chlorophenyl (3S)- 4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 21 Coagulation factor XII 6.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476365&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263659 442076418 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987548 COc1cc(CC#N)ccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C35H47N5O5S/c1-44-32-22-26(16-17-36)14-15-31(32)45-35(43)39-18-19-40(30(24-39)33(41)37-23-28-13-8-20-46-28)34(42)29(21-25-9-4-2-5-10-25)38-27-11-6-3-7-12-27/h8,13-15,20,22,25,27,29-30,38H,2-7,9-12,16,18-19,21,23-24H2,1H3,(H,37,41)/t29-,30+/m1/s1 FKBXTOWHHZJKMT-IHLOFXLRSA-N 476366 4-(cyanomethyl)-2-methoxyphenyl (3S)-4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 22 Coagulation factor XII 12.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476366&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263763 442076419 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987549 NCc1cccc(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C[C@H]2C(=O)NCc2cccs2)C(=O)Oc2cccc3ccccc23)c1 InChI=1S/C37H43N5O4S/c38-23-27-10-6-9-26(21-27)22-32(40-29-13-2-1-3-14-29)36(44)42-19-18-41(25-33(42)35(43)39-24-30-15-8-20-47-30)37(45)46-34-17-7-12-28-11-4-5-16-31(28)34/h4-12,15-17,20-21,29,32-33,40H,1-3,13-14,18-19,22-25,38H2,(H,39,43)/t32-,33+/m1/s1 HVCCZXWWRFJIPY-SAIUNTKASA-N 476367 US10875851, Example 23::naphthalen-1-yl (3S)-4-[3- (aminomethyl)-N-cyclohexyl-D- phenylalanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 18.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476367&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263832 442076420 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987550 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN InChI=1S/C40H53N5O5/c1-49-37-24-29(19-20-31(37)25-41)26-42-38(46)35-27-44(40(48)50-36-18-10-14-30-13-8-9-17-33(30)36)21-22-45(35)39(47)34(23-28-11-4-2-5-12-28)43-32-15-6-3-7-16-32/h8-10,13-14,17-20,24,28,32,34-35,43H,2-7,11-12,15-16,21-23,25-27,41H2,1H3,(H,42,46)/t34-,35+/m1/s1 BUVDEKOTUUFCCI-GPOMZPHUSA-N 476368 US10875851, Example 24::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-(N,3- dicyclohexyl-D-alanyl)piperazine-1- carboxylate Coagulation factor XII 1.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476368&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263643 442076421 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987551 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)C(CC1CCNCC1)NC1CCCCC1 InChI=1S/C31H42ClN5O4S/c32-25-10-4-5-11-28(25)41-31(40)36-16-17-37(27(21-36)29(38)34-20-24-9-6-18-42-24)30(39)26(19-22-12-14-33-15-13-22)35-23-7-2-1-3-8-23/h4-6,9-11,18,22-23,26-27,33,35H,1-3,7-8,12-17,19-21H2,(H,34,38)/t26?,27-/m0/s1 ZMTUQKLQKCCXIA-GEVKEYJPSA-N 476369 2-chlorophenyl (3S)-4-(N-4-cyclohexyl- 3-piperidin-4-ylalanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 25 Coagulation factor XII 15.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476369&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263660 442076422 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987552 NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)cc1 InChI=1S/C39H51N5O4/c40-25-29-18-20-30(21-19-29)26-41-37(45)35-27-43(39(47)48-36-17-9-13-31-12-7-8-16-33(31)36)22-23-44(35)38(46)34(24-28-10-3-1-4-11-28)42-32-14-5-2-6-15-32/h7-9,12-13,16-21,28,32,34-35,42H,1-6,10-11,14-15,22-27,40H2,(H,41,45)/t34-,35+/m1/s1 WNQRDRNRVJMRQF-GPOMZPHUSA-N 476370 US10875851, Example 26::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)benzyl]carbamoyl}-4- (N,3-dicyclohexyl-D- alanyl)piperazine-1-carboxylate Coagulation factor XII 8.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476370&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263661 442076423 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987553 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN InChI=1S/C34H43N5O5/c1-43-31-19-24(14-15-26(31)20-35)21-37-32(40)29-22-38(34(42)44-30-13-7-11-25-10-5-6-12-27(25)30)16-17-39(29)33(41)28(36)18-23-8-3-2-4-9-23/h5-7,10-15,19,23,28-29H,2-4,8-9,16-18,20-22,35-36H2,1H3,(H,37,40)/t28-,29+/m1/s1 JFSWWMRHAXRTCU-WDYNHAJCSA-N 476371 US10875851, Example 27::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-(3- cyclohexyl-D-alanyl)piperazine-1- carboxylate Coagulation factor XII 15.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476371&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263764 442076424 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987554 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc3ccccc23)ccc1CN InChI=1S/C50H64N6O5/c1-60-46-30-38(19-20-40(46)31-51)32-52-47(57)44-34-55(49(59)61-45-18-10-16-39-15-8-9-17-42(39)45)27-28-56(44)48(58)43(29-36-11-4-2-5-12-36)53-41-21-23-50(24-22-41)25-26-54(35-50)33-37-13-6-3-7-14-37/h3,6-10,13-20,30,36,41,43-44,53H,2,4-5,11-12,21-29,31-35,51H2,1H3,(H,52,57)/t41?,43-,44+,50?/m1/s1 XCGJNUJXPKBCRF-LFXDTDCVSA-N 476372 US10875851, Example 28::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]piperazine-1- carboxylate Coagulation factor XII 3.90 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476372&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263664 442076425 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987555 Cc1ncnc2c(OC(=O)N3CCN([C@@H](C3)C(=O)NCc3cccs3)C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)cccc12 InChI=1S/C35H46N6O4S/c1-24-28-15-8-16-31(32(28)38-23-37-24)45-35(44)40-17-18-41(30(22-40)33(42)36-21-27-14-9-19-46-27)34(43)29(20-25-10-4-2-5-11-25)39-26-12-6-3-7-13-26/h8-9,14-16,19,23,25-26,29-30,39H,2-7,10-13,17-18,20-22H2,1H3,(H,36,42)/t29-,30+/m1/s1 XQSXYKWKFNRWJE-IHLOFXLRSA-N 476373 4-methylquinazolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 29 Coagulation factor XII 3.30 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476373&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263708 442076426 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987556 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2cccnc12 InChI=1S/C35H45N5O4S/c41-33(37-23-28-16-9-21-45-28)30-24-39(35(43)44-31-17-7-12-26-13-8-18-36-32(26)31)19-20-40(30)34(42)29(22-25-10-3-1-4-11-25)38-27-14-5-2-6-15-27/h7-9,12-13,16-18,21,25,27,29-30,38H,1-6,10-11,14-15,19-20,22-24H2,(H,37,41)/t29-,30+/m1/s1 ZARVTUSRZWPEMS-IHLOFXLRSA-N 476374 US10875851, Example 30::quinolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 5.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476374&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263707 442076427 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987557 Clc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ncccc12 InChI=1S/C35H44ClN5O4S/c36-28-15-16-31(32-27(28)14-7-17-37-32)45-35(44)40-18-19-41(30(23-40)33(42)38-22-26-13-8-20-46-26)34(43)29(21-24-9-3-1-4-10-24)39-25-11-5-2-6-12-25/h7-8,13-17,20,24-25,29-30,39H,1-6,9-12,18-19,21-23H2,(H,38,42)/t29-,30+/m1/s1 KOQLXHNOLVIHLW-IHLOFXLRSA-N 476375 5-chloroquinolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 31 Coagulation factor XII 16.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476375&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263709 442076428 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987558 Fc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ncccc12 InChI=1S/C35H44FN5O4S/c36-28-15-16-31(32-27(28)14-7-17-37-32)45-35(44)40-18-19-41(30(23-40)33(42)38-22-26-13-8-20-46-26)34(43)29(21-24-9-3-1-4-10-24)39-25-11-5-2-6-12-25/h7-8,13-17,20,24-25,29-30,39H,1-6,9-12,18-19,21-23H2,(H,38,42)/t29-,30+/m1/s1 ZCQJMRPYOILSEF-IHLOFXLRSA-N 476376 5-fluoroquinolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 32 Coagulation factor XII 5.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476376&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263645 442076429 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987559 Oc1ccc2cccc(OC(=O)N3CCN([C@@H](C3)C(=O)NCc3cccs3)C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)c2n1 InChI=1S/C35H45N5O5S/c41-31-17-16-25-11-7-15-30(32(25)38-31)45-35(44)39-18-19-40(29(23-39)33(42)36-22-27-14-8-20-46-27)34(43)28(21-24-9-3-1-4-10-24)37-26-12-5-2-6-13-26/h7-8,11,14-17,20,24,26,28-29,37H,1-6,9-10,12-13,18-19,21-23H2,(H,36,42)(H,38,41)/t28-,29+/m1/s1 JXKNQKORHWZXGJ-WDYNHAJCSA-N 476377 2-hydroxyquinolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 33 Coagulation factor XII 20.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476377&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263779 442076430 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987560 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2ncccc12 InChI=1S/C35H45N5O4S/c41-33(37-23-27-14-9-21-45-27)31-24-39(35(43)44-32-17-7-16-29-28(32)15-8-18-36-29)19-20-40(31)34(42)30(22-25-10-3-1-4-11-25)38-26-12-5-2-6-13-26/h7-9,14-18,21,25-26,30-31,38H,1-6,10-13,19-20,22-24H2,(H,37,41)/t30-,31+/m1/s1 RYJDIIOUBFUJBZ-JSOSNVBQSA-N 476378 US10875851, Example 34::quinolin-5-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate Coagulation factor XII 17.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476378&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263648 442076431 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987561 COc1cc(CN)ccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C34H49N5O5S/c1-43-31-20-25(21-35)14-15-30(31)44-34(42)38-16-17-39(29(23-38)32(40)36-22-27-13-8-18-45-27)33(41)28(19-24-9-4-2-5-10-24)37-26-11-6-3-7-12-26/h8,13-15,18,20,24,26,28-29,37H,2-7,9-12,16-17,19,21-23,35H2,1H3,(H,36,40)/t28-,29+/m1/s1 DIJMUIVXPUZBPH-WDYNHAJCSA-N 476379 4-(aminomethyl)-2-methoxyphenyl (3S)-4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 35 Coagulation factor XII 24.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476379&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263666 442076432 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987562 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2CNCCc12 InChI=1S/C35H49N5O4S/c41-33(37-23-28-14-8-20-45-28)31-24-39(35(43)44-32-15-7-11-26-22-36-17-16-29(26)32)18-19-40(31)34(42)30(21-25-9-3-1-4-10-25)38-27-12-5-2-6-13-27/h7-8,11,14-15,20,25,27,30-31,36,38H,1-6,9-10,12-13,16-19,21-24H2,(H,37,41)/t30-,31+/m1/s1 BQQPXRUGEPDQIS-JSOSNVBQSA-N 476380 1,2,3,4-tetrahydroisoquinolin-5-yl (3S)-4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 36 Coagulation factor XII 4.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476380&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263780 442076433 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987563 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2CCNCc12 InChI=1S/C35H49N5O4S/c41-33(37-22-28-14-8-20-45-28)31-24-39(35(43)44-32-15-7-11-26-16-17-36-23-29(26)32)18-19-40(31)34(42)30(21-25-9-3-1-4-10-25)38-27-12-5-2-6-13-27/h7-8,11,14-15,20,25,27,30-31,36,38H,1-6,9-10,12-13,16-19,21-24H2,(H,37,41)/t30-,31+/m1/s1 AEHAMMPFBBFBIK-JSOSNVBQSA-N 476381 1,2,3,4-tetrahydroisoquinolin-8-yl (3S)-4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 37 Coagulation factor XII 5.30 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476381&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263695 442076434 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987564 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2CNCCc2c1 InChI=1S/C35H49N5O4S/c41-33(37-23-30-12-7-19-45-30)32-24-39(35(43)44-29-14-13-27-22-36-16-15-26(27)21-29)17-18-40(32)34(42)31(20-25-8-3-1-4-9-25)38-28-10-5-2-6-11-28/h7,12-14,19,21,25,28,31-32,36,38H,1-6,8-11,15-18,20,22-24H2,(H,37,41)/t31-,32+/m1/s1 CLYIIXRBQJYEET-ZWXJPIIXSA-N 476382 1,2,3,4-tetrahydroisoquinolin-6-yl (3S)-4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 38 Coagulation factor XII 18.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476382&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263665 442076435 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987565 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1ccc2CNCc2c1 InChI=1S/C34H47N5O4S/c40-32(36-22-29-12-7-17-44-29)31-23-38(34(42)43-28-14-13-25-20-35-21-26(25)19-28)15-16-39(31)33(41)30(18-24-8-3-1-4-9-24)37-27-10-5-2-6-11-27/h7,12-14,17,19,24,27,30-31,35,37H,1-6,8-11,15-16,18,20-23H2,(H,36,40)/t30-,31+/m1/s1 CAOKXBOJEMEJRY-JSOSNVBQSA-N 476383 2,3-dihydro-1H-isoindol-5-yl (3S)-4- (N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 39 Coagulation factor XII 23.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476383&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263669 442076436 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987566 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C35H44ClN5O4S/c36-28-13-7-8-14-31(28)45-35(44)40-17-18-41(30(23-40)33(42)38-22-27-20-25-21-37-16-15-32(25)46-27)34(43)29(19-24-9-3-1-4-10-24)39-26-11-5-2-6-12-26/h7-8,13-16,20-21,24,26,29-30,39H,1-6,9-12,17-19,22-23H2,(H,38,42)/t29-,30+/m1/s1 ZGAPDQZAHDNJOT-IHLOFXLRSA-N 476384 2-chlorophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thieno[3,2- c]pyridin-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 40 Coagulation factor XII 27.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476384&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263670 442076437 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987567 CC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C32H42ClN5O5S/c1-22(39)36-15-13-23(14-16-36)29(35-24-8-3-2-4-9-24)31(41)38-18-17-37(32(42)43-28-12-6-5-11-26(28)33)21-27(38)30(40)34-20-25-10-7-19-44-25/h5-7,10-12,19,23-24,27,29,35H,2-4,8-9,13-18,20-21H2,1H3,(H,34,40)/t27-,29+/m0/s1 KOYFVDKQMOBCKS-LMSSTIIKSA-N 476385 2-chlorophenyl (3S)-4-[(2R)-2-(1- acetylpiperidin-4-yl)-2- (cyclohexylamino)acetyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 41 Coagulation factor XII 19.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476385&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263870 442076438 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987568 CS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C31H42ClN5O6S2/c1-45(41,42)36-15-13-22(14-16-36)28(34-23-8-3-2-4-9-23)30(39)37-18-17-35(31(40)43-27-12-6-5-11-25(27)32)21-26(37)29(38)33-20-24-10-7-19-44-24/h5-7,10-12,19,22-23,26,28,34H,2-4,8-9,13-18,20-21H2,1H3,(H,33,38)/t26-,28+/m0/s1 CVSCQEZOLUIIKC-XTEPFMGCSA-N 476386 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1- (methylsulfonyl)piperidin-4- yl]acetyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 42 Coagulation factor XII 6.00 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476386&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263833 442076439 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987569 O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2C(=O)NCCc12 InChI=1S/C35H47N5O5S/c41-32-28-14-7-15-31(27(28)16-17-36-32)45-35(44)39-18-19-40(30(23-39)33(42)37-22-26-13-8-20-46-26)34(43)29(21-24-9-3-1-4-10-24)38-25-11-5-2-6-12-25/h7-8,13-15,20,24-25,29-30,38H,1-6,9-12,16-19,21-23H2,(H,36,41)(H,37,42)/t29-,30+/m1/s1 WMIGMVNLLKETKJ-IHLOFXLRSA-N 476387 1-oxo-1,2,3,4-tetrahydroisoquinolin-5- yl (3S)-4-(N,3-dicyclohexyl-D- alanyl)-3-[(thiophpen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 43 Coagulation factor XII 20.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476387&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263672 442076440 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987570 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C40H52ClN5O5/c1-50-36-23-28(16-17-30(36)24-42)25-43-38(47)34-26-45(40(49)51-35-19-18-29-12-8-9-15-32(29)37(35)41)20-21-46(34)39(48)33(22-27-10-4-2-5-11-27)44-31-13-6-3-7-14-31/h8-9,12,15-19,23,27,31,33-34,44H,2-7,10-11,13-14,20-22,24-26,42H2,1H3,(H,43,47)/t33-,34+/m1/s1 XKJKFCPVESRJBY-NOCHOARKSA-N 476388 1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-(N,3- dicyclohexyl-D-alanyl)piperazine-1- carboxylate::US10875851, Example 44 Coagulation factor XII 2.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476388&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263673 442076441 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987571 NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c2ccccc12 InChI=1S/C37H49N5O4S/c38-23-27-17-18-34(31-16-8-7-15-30(27)31)46-37(45)41-19-20-42(33(25-41)35(43)39-24-29-14-9-21-47-29)36(44)32(22-26-10-3-1-4-11-26)40-28-12-5-2-6-13-28/h7-9,14-18,21,26,28,32-33,40H,1-6,10-13,19-20,22-25,38H2,(H,39,43)/t32-,33+/m1/s1 ZSJURTGOGBMBDI-SAIUNTKASA-N 476389 4-(aminomethyl)naphthalen-1-yl (3S)- 4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 45 Coagulation factor XII 12.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476389&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263765 442076442 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987572 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(Cc2ccccc2)CC1 InChI=1S/C37H46ClN5O4S/c38-31-15-7-8-16-33(31)47-37(46)42-21-22-43(32(26-42)35(44)39-24-30-14-9-23-48-30)36(45)34(40-29-12-5-2-6-13-29)28-17-19-41(20-18-28)25-27-10-3-1-4-11-27/h1,3-4,7-11,14-16,23,28-29,32,34,40H,2,5-6,12-13,17-22,24-26H2,(H,39,44)/t32-,34+/m0/s1 BMVCTVJUVXUVNX-UZNNEEJFSA-N 476390 2-chlorophenyl (3S)-4-[(2R)-2-(1- benzylpiperidin-4-yl)-2- (cyclohexylamino)acetyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 46 Coagulation factor XII 26.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476390&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263781 442076443 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987573 CN([C@H](C1CCN(C)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl)C1CCCCC1 InChI=1S/C32H44ClN5O4S/c1-35-16-14-23(15-17-35)29(36(2)24-9-4-3-5-10-24)31(40)38-19-18-37(32(41)42-28-13-7-6-12-26(28)33)22-27(38)30(39)34-21-25-11-8-20-43-25/h6-8,11-13,20,23-24,27,29H,3-5,9-10,14-19,21-22H2,1-2H3,(H,34,39)/t27-,29+/m0/s1 OIGVUBFBXSWCRA-LMSSTIIKSA-N 476391 2-chlorophenyl (3S)-4-[(2R)-2- [cyclohexyl(methyl)amino]-2-(1- methylpiperidin-4-yl)acetyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 47 Coagulation factor XII 29.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476391&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263766 442076444 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987574 NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C39H51ClN6O4S/c40-32-12-4-5-14-35(32)50-38(49)45-22-23-46(34(27-45)36(47)42-25-31-11-8-24-51-31)37(48)33(13-6-7-20-41)43-30-15-17-39(18-16-30)19-21-44(28-39)26-29-9-2-1-3-10-29/h1-5,8-12,14,24,30,33-34,43H,6-7,13,15-23,25-28,41H2,(H,42,47)/t30?,33-,34+,39?/m1/s1 JGKDKJQMAPDFAN-NGSOWYGKSA-N 476392 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 48::US10875851, Example 49 Coagulation factor XII 20.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476392&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257573 442076445 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987575 NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C39H51ClN6O4S/c40-32-12-4-5-14-35(32)50-38(49)45-22-23-46(34(27-45)36(47)42-25-31-11-8-24-51-31)37(48)33(13-6-7-20-41)43-30-15-17-39(18-16-30)19-21-44(28-39)26-29-9-2-1-3-10-29/h1-5,8-12,14,24,30,33-34,43H,6-7,13,15-23,25-28,41H2,(H,42,47)/t30?,33-,34+,39?/m1/s1 JGKDKJQMAPDFAN-NGSOWYGKSA-N 476392 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 48::US10875851, Example 49 Coagulation factor XII 18.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476392&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257573 442076445 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987576 NCc1ccc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CC2CCCCC2)C(=O)Oc2ccccc2Cl)cc1Cl InChI=1S/C29H37Cl2N5O4/c30-22-8-4-5-9-26(22)40-29(39)35-12-13-36(28(38)24(33)15-19-6-2-1-3-7-19)25(18-35)27(37)34-17-20-10-11-21(16-32)23(31)14-20/h4-5,8-11,14,19,24-25H,1-3,6-7,12-13,15-18,32-33H2,(H,34,37)/t24-,25+/m1/s1 DQAVWCRHHUDZSE-RPBOFIJWSA-N 476394 2-chlorophenyl (3S)-3-{[4- (aminomethyl)-3- chlorobenzyl]carbamoyl}-4-(3- cyclohexyl-D-alanyl)piperazine-1- carboxylate::US10875851, Example 50 Coagulation factor XII 29.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476394&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263783 442076446 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987577 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC(N)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C40H53ClN6O5/c1-51-36-22-27(11-12-29(36)23-42)24-44-38(48)34-25-46(40(50)52-35-18-13-28-9-5-6-10-32(28)37(35)41)19-20-47(34)39(49)33(21-26-7-3-2-4-8-26)45-31-16-14-30(43)15-17-31/h5-6,9-13,18,22,26,30-31,33-34,45H,2-4,7-8,14-17,19-21,23-25,42-43H2,1H3,(H,44,48)/t30?,31?,33-,34+/m1/s1 MTFKTKMIUQLBOP-RHHULBOPSA-N 476395 1-chloronaphthalen-2-yl (3S)-4-[N-(4- aminocyclohexyl)-3-cyclohexyl-D- alanyl]-3-{[4-(aminomethyl)-3- methoxybenzyl]carbamoyl}piperazine- 1-carboxylate::US10875851, Example 51 Coagulation factor XII 16.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476395&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263649 442076447 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987578 FC(F)(F)CN1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C32H41ClF3N5O4S/c33-25-10-4-5-11-27(25)45-31(44)40-16-17-41(26(20-40)29(42)37-19-24-9-6-18-46-24)30(43)28(38-23-7-2-1-3-8-23)22-12-14-39(15-13-22)21-32(34,35)36/h4-6,9-11,18,22-23,26,28,38H,1-3,7-8,12-17,19-21H2,(H,37,42)/t26-,28+/m0/s1 BOYFTCTXJJZBFV-XTEPFMGCSA-N 476396 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1-(2,2,2- trifluoroethyl)piperidin-4-yl]acetyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 52 Coagulation factor XII 23.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476396&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263674 442076448 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987579 CS(=O)(=O)N1CCC(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C[C@H]2C(=O)NCc2cccs2)C(=O)Oc2ccccc2Cl)CC1 InChI=1S/C32H44ClN5O6S2/c1-46(42,43)37-15-13-23(14-16-37)20-27(35-24-8-3-2-4-9-24)31(40)38-18-17-36(32(41)44-29-12-6-5-11-26(29)33)22-28(38)30(39)34-21-25-10-7-19-45-25/h5-7,10-12,19,23-24,27-28,35H,2-4,8-9,13-18,20-22H2,1H3,(H,34,39)/t27-,28+/m1/s1 YHMWESPPLQHLNK-IZLXSDGUSA-N 476397 2-chlorophenyl (3S)-4-{N-cyclohexyl- 3-[1-(methylsulfonyl)piperidin-4-yl]- D-alanyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 53 Coagulation factor XII 19.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476397&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263784 442076449 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987580 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C40H53ClN6O6S2/c1-55(51,52)43-21-8-7-14-34(44-31-16-18-40(19-17-31)20-22-45(29-40)27-30-10-3-2-4-11-30)38(49)47-24-23-46(39(50)53-36-15-6-5-13-33(36)41)28-35(47)37(48)42-26-32-12-9-25-54-32/h2-6,9-13,15,25,31,34-35,43-44H,7-8,14,16-24,26-29H2,1H3,(H,42,48)/t31?,34-,35+,40?/m1/s1 CRVLXPITCZRCQS-GEMFNABFSA-N 476398 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-N~6~- (methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 54 Coagulation factor XII 8.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476398&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257330 442076450 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987581 NCc1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c1Cl InChI=1S/C33H46ClN5O4S/c34-30-24(20-35)11-7-15-29(30)43-33(42)38-16-17-39(28(22-38)31(40)36-21-26-14-8-18-44-26)32(41)27(19-23-9-3-1-4-10-23)37-25-12-5-2-6-13-25/h7-8,11,14-15,18,23,25,27-28,37H,1-6,9-10,12-13,16-17,19-22,35H2,(H,36,40)/t27-,28+/m1/s1 QBZTWBQTTVYZTD-IZLXSDGUSA-N 476399 3-(aminomethyl)-2-chlorophenyl (3S)- 4-(N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 55 Coagulation factor XII 1.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476399&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263650 442076451 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987582 Clc1c(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)cccc1C#N InChI=1S/C33H42ClN5O4S/c34-30-24(20-35)11-7-15-29(30)43-33(42)38-16-17-39(28(22-38)31(40)36-21-26-14-8-18-44-26)32(41)27(19-23-9-3-1-4-10-23)37-25-12-5-2-6-13-25/h7-8,11,14-15,18,23,25,27-28,37H,1-6,9-10,12-13,16-17,19,21-22H2,(H,36,40)/t27-,28+/m1/s1 AIHHKNBKBNIEAC-IZLXSDGUSA-N 476400 2-chloro-3-cyanophenyl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 56 Coagulation factor XII 10.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476400&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263697 442076452 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987583 NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl InChI=1S/C33H42ClN5O4S/c34-30-26-13-5-4-9-23(26)15-16-29(30)43-33(42)38-18-19-39(28(22-38)31(40)36-21-25-12-8-20-44-25)32(41)27(14-6-7-17-35)37-24-10-2-1-3-11-24/h4-5,8-9,12-13,15-16,20,24,27-28,37H,1-3,6-7,10-11,14,17-19,21-22,35H2,(H,36,40)/t27-,28+/m1/s1 WGDRYWYVGDPKGI-IZLXSDGUSA-N 476401 1-chloronaphthalen-2-yl (3S)-4-(N2- cyclohexyl-D-lysyl)-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 57 Coagulation factor XII 29.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476401&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257300 442076453 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987584 NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl InChI=1S/C43H53ClN6O4S/c44-39-35-13-5-4-11-32(35)15-16-38(39)54-42(53)49-24-25-50(37(29-49)40(51)46-27-34-12-8-26-55-34)41(52)36(14-6-7-22-45)47-33-17-19-43(20-18-33)21-23-48(30-43)28-31-9-2-1-3-10-31/h1-5,8-13,15-16,26,33,36-37,47H,6-7,14,17-25,27-30,45H2,(H,46,51)/t33?,36-,37+,43?/m1/s1 KHIWWPFSIJVVQL-QTUSZSIFSA-N 476402 1-chloronaphthalen-2-yl (3S)-4-[N2- (2-benzyl-2-azaspiro[4.5]dec-8-yl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 58 Coagulation factor XII 22.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476402&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263839 442076454 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987585 NCc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c2ccccc12 InChI=1S/C47H60N6O4S/c48-29-36-17-18-43(40-16-8-7-15-39(36)40)57-46(56)52-25-26-53(42(32-52)44(54)49-30-38-14-9-27-58-38)45(55)41(28-34-10-3-1-4-11-34)50-37-19-21-47(22-20-37)23-24-51(33-47)31-35-12-5-2-6-13-35/h2,5-9,12-18,27,34,37,41-42,50H,1,3-4,10-11,19-26,28-33,48H2,(H,49,54)/t37?,41-,42+,47?/m1/s1 JQUIAODRUQJWEM-YWDPPZBZSA-N 476403 4-(aminomethyl)naphthalen-1-yl (3S)- 4-[N-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-3-cyclohexyl-D-alanyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 59 Coagulation factor XII 4.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476403&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263676 442076455 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987586 CC(C)CS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C34H48ClN5O6S2/c1-24(2)23-48(44,45)39-16-14-25(15-17-39)31(37-26-9-4-3-5-10-26)33(42)40-19-18-38(34(43)46-30-13-7-6-12-28(30)35)22-29(40)32(41)36-21-27-11-8-20-47-27/h6-8,11-13,20,24-26,29,31,37H,3-5,9-10,14-19,21-23H2,1-2H3,(H,36,41)/t29-,31+/m0/s1 QAGPMJBCOFEWJR-IGYGKHONSA-N 476404 2-chlorophenyl (3S)-4-[(2R)-2- (cyclohexylamino)-2-{1-[(2- methylpropyl)sulfonyl]piperidin-4- yl}acetyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 60 Coagulation factor XII 22.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476404&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263699 442076456 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987587 CCS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C32H44ClN5O6S2/c1-2-46(42,43)37-16-14-23(15-17-37)29(35-24-9-4-3-5-10-24)31(40)38-19-18-36(32(41)44-28-13-7-6-12-26(28)33)22-27(38)30(39)34-21-25-11-8-20-45-25/h6-8,11-13,20,23-24,27,29,35H,2-5,9-10,14-19,21-22H2,1H3,(H,34,39)/t27-,29+/m0/s1 GYPKYWQYSAUACW-LMSSTIIKSA-N 476405 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1- (ethylsulfonyl)piperidin-4-yl]acetyl}- 3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 61 Coagulation factor XII 4.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476405&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263677 442076457 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987588 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)S(=O)(=O)C1CC1 InChI=1S/C33H44ClN5O6S2/c34-27-10-4-5-11-29(27)45-33(42)37-18-19-39(28(22-37)31(40)35-21-25-9-6-20-46-25)32(41)30(36-24-7-2-1-3-8-24)23-14-16-38(17-15-23)47(43,44)26-12-13-26/h4-6,9-11,20,23-24,26,28,30,36H,1-3,7-8,12-19,21-22H2,(H,35,40)/t28-,30+/m0/s1 GTWKVGBRXLOOLE-MFMCTBQISA-N 476406 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1- (cyclopropylsulfonyl)piperidin-4- yl]acetyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 62 Coagulation factor XII 1.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476406&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263654 442076458 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987589 CC(C)S(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C33H46ClN5O6S2/c1-23(2)47(43,44)38-16-14-24(15-17-38)30(36-25-9-4-3-5-10-25)32(41)39-19-18-37(33(42)45-29-13-7-6-12-27(29)34)22-28(39)31(40)35-21-26-11-8-20-46-26/h6-8,11-13,20,23-25,28,30,36H,3-5,9-10,14-19,21-22H2,1-2H3,(H,35,40)/t28-,30+/m0/s1 LZOYLRKOQZVNNA-MFMCTBQISA-N 476407 2-chlorophenyl (3S)-4-[(2R)-2- (cyclohexylamino)-2-{1-[(1- methylethyl)sulfonyl]piperidin-4- yl}acetyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 63 Coagulation factor XII 2.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476407&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263702 442076459 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987590 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)S(=O)(=O)c1cn[nH]c1 476408 2-chlorophenyl (3S)-4-{2(R)-2- (cyclohexylamino)-2-[1-(1H-pyrazol- 4-ylsulfonyl)piperidin-4-yl]acetyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperzine-1- carboxylate::US10875851, Example 64 Coagulation factor XII 21.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476408&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263768 442076460 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987591 Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C34H44ClN7O6S2/c1-39-22-30(37-23-39)50(46,47)41-15-13-24(14-16-41)31(38-25-8-3-2-4-9-25)33(44)42-18-17-40(34(45)48-29-12-6-5-11-27(29)35)21-28(42)32(43)36-20-26-10-7-19-49-26/h5-7,10-12,19,22-25,28,31,38H,2-4,8-9,13-18,20-21H2,1H3,(H,36,43)/t28-,31+/m0/s1 KTVKRZVEENWUMS-QCENPCRXSA-N 476409 2-chlorophenyl (3S)-4-[(2R)-2- (cyclohexylamino)-2-{1-[(1-methyl- 1H-imidazol-4-yl)sulfonyl]piperidin- 4-yl}acetyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 65 Coagulation factor XII 29.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476409&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263653 442076461 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987592 CCC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C33H44ClN5O5S/c1-2-29(40)37-16-14-23(15-17-37)30(36-24-9-4-3-5-10-24)32(42)39-19-18-38(33(43)44-28-13-7-6-12-26(28)34)22-27(39)31(41)35-21-25-11-8-20-45-25/h6-8,11-13,20,23-24,27,30,36H,2-5,9-10,14-19,21-22H2,1H3,(H,35,41)/t27-,30+/m0/s1 OYQSDUHORGJDSO-BHBYDHKZSA-N 476410 2-chlorophenyl (3S)-4-[(2R)-2- (cyclohexylamino)-2-(1- propanoylpiperidin-4-yl)acetyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 66 Coagulation factor XII 10.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476410&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263656 442076462 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987593 CC(C)(C)CC(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C36H50ClN5O5S/c1-36(2,3)22-31(43)40-17-15-25(16-18-40)32(39-26-10-5-4-6-11-26)34(45)42-20-19-41(35(46)47-30-14-8-7-13-28(30)37)24-29(42)33(44)38-23-27-12-9-21-48-27/h7-9,12-14,21,25-26,29,32,39H,4-6,10-11,15-20,22-24H2,1-3H3,(H,38,44)/t29-,32+/m0/s1 GIBBLHFNVDGUSA-BHDXBOSCSA-N 476411 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1-(3,3- dimethylbutanoyl)piperidin-4- yl]acetyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 67 Coagulation factor XII 22.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476411&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263701 442076463 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987594 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)C(=O)c1cscn1 InChI=1S/C34H41ClN6O5S2/c35-26-10-4-5-11-29(26)46-34(45)40-16-17-41(28(20-40)31(42)36-19-25-9-6-18-48-25)33(44)30(38-24-7-2-1-3-8-24)23-12-14-39(15-13-23)32(43)27-21-47-22-37-27/h4-6,9-11,18,21-24,28,30,38H,1-3,7-8,12-17,19-20H2,(H,36,42)/t28-,30+/m0/s1 SVBZRROGTKEKDL-MFMCTBQISA-N 476412 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1-(1,3-thiazol- 4-ylcarbonyl)piperidin-4-yl]acetyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 68 Coagulation factor XII 15.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476412&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263712 442076464 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987595 CC(C)(C)C(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C35H48ClN5O5S/c1-35(2,3)33(44)39-17-15-24(16-18-39)30(38-25-10-5-4-6-11-25)32(43)41-20-19-40(34(45)46-29-14-8-7-13-27(29)36)23-28(41)31(42)37-22-26-12-9-21-47-26/h7-9,12-14,21,24-25,28,30,38H,4-6,10-11,15-20,22-23H2,1-3H3,(H,37,42)/t28-,30+/m0/s1 RHCCJLOYZUUFRC-MFMCTBQISA-N 476413 2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2-[1-(2,2- dimethylpropanoyl)piperidin-4- yl]acetyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 69 Coagulation factor XII 8.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476413&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263658 442076465 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987596 CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl InChI=1S/C34H44ClN5O6S2/c1-48(44,45)37-18-8-7-15-28(38-25-11-3-2-4-12-25)33(42)40-20-19-39(23-29(40)32(41)36-22-26-13-9-21-47-26)34(43)46-30-17-16-24-10-5-6-14-27(24)31(30)35/h5-6,9-10,13-14,16-17,21,25,28-29,37-38H,2-4,7-8,11-12,15,18-20,22-23H2,1H3,(H,36,41)/t28-,29+/m1/s1 OIAOOENDLFBDOV-WDYNHAJCSA-N 476414 1-chloronaphthalen-2-yl (3S)-4-[N2- cyclohexyl-N6-(methylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 70 Coagulation factor XII 20.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476414&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257627 442076466 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987597 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl InChI=1S/C44H55ClN6O6S2/c1-59(55,56)47-23-8-7-15-37(48-34-18-20-44(21-19-34)22-24-49(31-44)29-32-10-3-2-4-11-32)42(53)51-26-25-50(30-38(51)41(52)46-28-35-13-9-27-58-35)43(54)57-39-17-16-33-12-5-6-14-36(33)40(39)45/h2-6,9-14,16-17,27,34,37-38,47-48H,7-8,15,18-26,28-31H2,1H3,(H,46,52)/t34?,37-,38+,44?/m1/s1 KBMCYUFXRPHOOR-VTOQXNJGSA-N 476415 1-chloronaphthalen-2-yl (3S)-4-[N2- (2-benzyl-2-azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 71 Coagulation factor XII 10.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476415&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257303 442076467 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987598 CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C30H42ClN5O6S2/c1-44(40,41)33-16-8-7-14-25(34-22-10-3-2-4-11-22)29(38)36-18-17-35(30(39)42-27-15-6-5-13-24(27)31)21-26(36)28(37)32-20-23-12-9-19-43-23/h5-6,9,12-13,15,19,22,25-26,33-34H,2-4,7-8,10-11,14,16-18,20-21H2,1H3,(H,32,37)/t25-,26+/m1/s1 JXQWRHUOFALSOA-FTJBHMTQSA-N 476416 2-chlorophenyl (3S)-4-[N2- cyclohexyl-N6-(methylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 72 Coagulation factor XII 14.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476416&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257553 442076468 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987599 CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C31H44ClN5O4S/c1-35(2)17-9-8-15-26(34-23-11-4-3-5-12-23)30(39)37-19-18-36(31(40)41-28-16-7-6-14-25(28)32)22-27(37)29(38)33-21-24-13-10-20-42-24/h6-7,10,13-14,16,20,23,26-27,34H,3-5,8-9,11-12,15,17-19,21-22H2,1-2H3,(H,33,38)/t26-,27+/m1/s1 WHZRABRWVLHXJH-SXOMAYOGSA-N 476417 2-chlorophenyl (3S)-4-(N2- cyclohexyl-N6,N6-dimethyl-D-lysyl)- 3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 73 Coagulation factor XII 1.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476417&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257581 442076469 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987600 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C48H62ClN7O7S/c1-62-43-28-35(15-16-37(43)29-50)30-51-45(57)41-32-55(47(59)63-42-18-17-36-12-6-7-13-39(36)44(42)49)26-27-56(41)46(58)40(14-8-9-24-52-64(2,60)61)53-38-19-21-48(22-20-38)23-25-54(33-48)31-34-10-4-3-5-11-34/h3-7,10-13,15-18,28,38,40-41,52-53H,8-9,14,19-27,29-33,50H2,1-2H3,(H,51,57)/t38?,40-,41+,48?/m1/s1 KBWBSTVPIPXISE-HRYFAEDISA-N 476418 1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N2-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]piperazine- 1-carboxylate::US10875851, Example 74 Coagulation factor XII 3.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476418&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263680 442076470 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987601 COC(N)c1cccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 InChI=1S/C42H59N7O7S2/c1-55-38(43)32-12-8-13-34(26-32)56-41(52)48-23-24-49(37(29-48)39(50)44-27-35-14-9-25-57-35)40(51)36(15-6-7-21-45-58(2,53)54)46-33-16-18-42(19-17-33)20-22-47(30-42)28-31-10-4-3-5-11-31/h3-5,8-14,25-26,33,36-38,45-46H,6-7,15-24,27-30,43H2,1-2H3,(H,44,50)/t33?,36-,37+,38?,42?/m1/s1 IUHZOGMZOJBFPS-PHYQGNOOSA-N 476419 3-[amino(methoxy)methyl]phenyl (3S)-4-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 75 Coagulation factor XII 5.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476419&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257356 442076471 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987602 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc(CN)c2)ccc1CN InChI=1S/C45H64N8O7S/c1-59-41-26-35(14-15-36(41)28-47)29-48-42(54)40-31-52(44(56)60-38-12-8-11-34(25-38)27-46)23-24-53(40)43(55)39(13-6-7-21-49-61(2,57)58)50-37-16-18-45(19-17-37)20-22-51(32-45)30-33-9-4-3-5-10-33/h3-5,8-12,14-15,25-26,37,39-40,49-50H,6-7,13,16-24,27-32,46-47H2,1-2H3,(H,48,54)/t37?,39-,40+,45?/m1/s1 WXVGWHVYROKIRC-SHRGAXDBSA-N 476420 3-(aminomethyl)phenyl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N2-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-N6= (methylsulfonyl)-D-lysyl]piperazine- 1-carboxylate::US10875851, Example 76 Coagulation factor XII 4.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476420&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263662 442076472 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987603 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1 InChI=1S/C32H44ClN5O6S2/c33-26-13-4-5-15-29(26)44-32(41)36-18-19-38(28(23-36)30(39)34-22-25-12-8-20-45-25)31(40)27(35-24-10-2-1-3-11-24)14-6-7-16-37-17-9-21-46(37,42)43/h4-5,8,12-13,15,20,24,27-28,35H,1-3,6-7,9-11,14,16-19,21-23H2,(H,34,39)/t27-,28+/m1/s1 ODFNHJHVFFTZSL-IZLXSDGUSA-N 476421 2-chlorophenyl (3S)-4-[N-cyclohexyl- 6-(1,1-dioxidoisothiazolidin-2-yl)-D- norleucyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 77 Coagulation factor XII 4.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476421&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263713 442076473 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987604 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C41H55ClN6O4S/c1-45(2)22-9-8-15-35(44-32-17-19-41(20-18-32)21-23-46(30-41)28-31-11-4-3-5-12-31)39(50)48-25-24-47(40(51)52-37-16-7-6-14-34(37)42)29-36(48)38(49)43-27-33-13-10-26-53-33/h3-7,10-14,16,26,32,35-36,44H,8-9,15,17-25,27-30H2,1-2H3,(H,43,49)/t32?,35-,36+,41?/m1/s1 LYZOUUZHYAWKLD-QTLAVVGKSA-N 476422 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 78 Coagulation factor XII 0.900 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476422&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257609 442076474 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987605 CN(C)CCCC[C@@H](N(C)C1CCC2(CNC(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C42H57ClN6O4S/c1-46(2)22-10-9-16-36(47(3)33-18-20-42(21-19-33)27-32(45-30-42)26-31-12-5-4-6-13-31)40(51)49-24-23-48(41(52)53-38-17-8-7-15-35(38)43)29-37(49)39(50)44-28-34-14-11-25-54-34/h4-8,11-15,17,25,32-33,36-37,45H,9-10,16,18-24,26-30H2,1-3H3,(H,44,50)/t32?,33?,36-,37+,42?/m1/s1 NBAWICVVJHXIQY-BYPMLUJGSA-N 476423 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-N2,N6,N6- trimethyl-D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 79 Coagulation factor XII 1.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476423&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263792 442076475 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987606 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(CN)c2ccccc12 InChI=1S/C45H59N7O6S2/c1-60(56,57)48-23-8-7-15-39(49-35-18-20-45(21-19-35)22-24-50(32-45)30-33-10-3-2-4-11-33)43(54)52-26-25-51(31-40(52)42(53)47-29-36-12-9-27-59-36)44(55)58-41-17-16-34(28-46)37-13-5-6-14-38(37)41/h2-6,9-14,16-17,27,35,39-40,48-49H,7-8,15,18-26,28-32,46H2,1H3,(H,47,53)/t35?,39-,40+,45?/m1/s1 ZIEWMOMSBMLBMV-PKLOSATMSA-N 476424 4-(aminomethyl)naphthalen-1-yl (3S)- 4-[N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N6-(methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 80 Coagulation factor XII 15.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476424&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263679 442076476 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987607 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc2CNCCc12 InChI=1S/C43H59N7O6S2/c1-58(54,55)46-21-6-5-13-37(47-34-15-18-43(19-16-34)20-23-48(31-43)29-32-9-3-2-4-10-32)41(52)50-25-24-49(30-38(50)40(51)45-28-35-12-8-26-57-35)42(53)56-39-14-7-11-33-27-44-22-17-36(33)39/h2-4,7-12,14,26,34,37-38,44,46-47H,5-6,13,15-25,27-31H2,1H3,(H,45,51)/t34?,37-,38+,43?/m1/s1 XOPBEXNWCHLVKL-RSGXDSATSA-N 476425 1,2,3,4-tetrahydroisoquinolin-5-yl (3S)-4-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 81 Coagulation factor XII 3.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476425&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257565 442076477 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987608 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc(CN)c1Cl InChI=1S/C41H56ClN7O6S2/c1-57(53,54)45-20-6-5-13-34(46-32-15-17-41(18-16-32)19-21-47(29-41)27-30-9-3-2-4-10-30)39(51)49-23-22-48(28-35(49)38(50)44-26-33-12-8-24-56-33)40(52)55-36-14-7-11-31(25-43)37(36)42/h2-4,7-12,14,24,32,34-35,45-46H,5-6,13,15-23,25-29,43H2,1H3,(H,44,50)/t32?,34-,35+,41?/m1/s1 RGPDRUOQGADNGH-IPAXYELNSA-N 476426 3-(aminomethyl)-2-chlorophenyl (3S)- 4-[N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N6-(methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 82 Coagulation factor XII 2.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263795 442076478 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987609 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CCCCNS(C)(=O)=O)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C32H41ClN6O7S/c1-45-28-17-21(10-11-23(28)18-34)19-36-30(40)26-20-38(32(42)46-27-13-12-22-7-3-4-8-24(22)29(27)33)15-16-39(26)31(41)25(35)9-5-6-14-37-47(2,43)44/h3-4,7-8,10-13,17,25-26,37H,5-6,9,14-16,18-20,34-35H2,1-2H3,(H,36,40)/t25-,26+/m1/s1 ZEIKWJRGTXJYRU-FTJBHMTQSA-N 476427 1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N6- (methylsulfonyl)-D-lysyl]piperazine- 1-carboxylate::US10875851, Example 83 Coagulation factor XII 28.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476427&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263823 442076479 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987610 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C39H54ClN7O7S/c1-53-35-21-27(10-13-29(35)23-42)24-43-37(48)33-25-46(39(50)54-34-17-14-28-7-3-4-8-31(28)36(34)40)19-20-47(33)38(49)32(9-5-6-18-44-55(2,51)52)45-30-15-11-26(22-41)12-16-30/h3-4,7-8,10,13-14,17,21,26,30,32-33,44-45H,5-6,9,11-12,15-16,18-20,22-25,41-42H2,1-2H3,(H,43,48)/t26?,30?,32-,33+/m1/s1 SCSNDWGLJNHPAC-OFZFGVMSSA-N 476428 1-chloronaphthalen-2-yl (3S)-4-{N2- [4-(aminomethyl)cyclohexyl]-N6- (methylsulfonyl)-D-lysyl}-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}piperazine- 1-carboxylate::US10875851, Example 84 Coagulation factor XII 28.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476428&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257622 442076480 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987611 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccccc2Cl)ccc1CN InChI=1S/C44H60ClN7O7S/c1-58-40-26-33(15-16-34(40)27-46)28-47-41(53)38-30-51(43(55)59-39-14-7-6-12-36(39)45)24-25-52(38)42(54)37(13-8-9-22-48-60(2,56)57)49-35-17-19-44(20-18-35)21-23-50(31-44)29-32-10-4-3-5-11-32/h3-7,10-12,14-16,26,35,37-38,48-49H,8-9,13,17-25,27-31,46H2,1-2H3,(H,47,53)/t35?,37-,38+,44?/m1/s1 VNENSVJXIXSOCA-VRMJWWLNSA-N 476429 2-chlorophenyl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N2-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]piperazine- 1-carboxylate::US10875851, Example 85 Coagulation factor XII 8.30 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476429&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263769 442076481 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987612 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CNC(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc(CN)c1 InChI=1S/C41H57N7O6S2/c1-56(52,53)45-19-6-5-14-36(46-32-15-17-41(18-16-32)25-33(44-29-41)23-30-9-3-2-4-10-30)39(50)48-21-20-47(40(51)54-34-12-7-11-31(24-34)26-42)28-37(48)38(49)43-27-35-13-8-22-55-35/h2-4,7-13,22,24,32-33,36-37,44-46H,5-6,14-21,23,25-29,42H2,1H3,(H,43,49)/t32?,33?,36-,37+,41?/m1/s1 HTUVQIUEBYDRLA-YDATVROQSA-N 476430 3-(aminomethyl)phenyl (3S)-4-[N2-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 86 Coagulation factor XII 16.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476430&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263796 442076482 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987613 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C50H66ClN7O5/c1-54(2)26-11-10-16-42(55(3)40-21-23-50(24-22-40)25-27-56(35-50)33-36-12-6-5-7-13-36)48(60)58-29-28-57(49(61)63-44-20-19-38-14-8-9-15-41(38)46(44)51)34-43(58)47(59)53-32-37-17-18-39(31-52)45(30-37)62-4/h5-9,12-15,17-20,30,40,42-43H,10-11,16,21-29,31-35,52H2,1-4H3,(H,53,59)/t40?,42-,43+,50?/m1/s1 YDRYUVVQLNIJLE-ZDDGQASDSA-N 476431 1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N2-(2- benzyl-2-azaspiro[4.5]dec-8-yl)- N2,N6,N6-trimethyl-D- lysyl]piperazine-1-carboxylate::US10875851, Example 87 Coagulation factor XII 1.000 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476431&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263681 442076483 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987614 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C44H59ClN6O4S/c45-37-15-5-6-17-40(37)55-43(54)50-27-28-51(39(32-50)41(52)46-30-36-14-11-29-56-36)42(53)38(16-7-10-25-48-23-8-2-9-24-48)47-35-18-20-44(21-19-35)22-26-49(33-44)31-34-12-3-1-4-13-34/h1,3-6,11-15,17,29,35,38-39,47H,2,7-10,16,18-28,30-33H2,(H,46,52)/t35?,38-,39+,44?/m1/s1 QLVDDJJLIQHIJS-LGXNAILHSA-N 476432 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-6-piperidin- 1-yl-D-norleucyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 88 Coagulation factor XII 0.900 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263678 442076484 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987615 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CCCCN(C)C)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C33H43ClN6O5/c1-38(2)15-7-6-10-26(36)32(42)40-17-16-39(33(43)45-28-14-13-23-8-4-5-9-25(23)30(28)34)21-27(40)31(41)37-20-22-11-12-24(19-35)29(18-22)44-3/h4-5,8-9,11-14,18,26-27H,6-7,10,15-17,19-21,35-36H2,1-3H3,(H,37,41)/t26-,27+/m1/s1 VOUHGQMKYBWDDZ-SXOMAYOGSA-N 476433 1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-(N6,N6- dimethyl-D-lysyl)piperazine-1- carboxylate::US10875851, Example 89 Coagulation factor XII 1.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476433&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257567 442076485 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987616 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C41H55ClN6O4S/c1-45(2)22-9-8-15-35(44-32-17-19-41(20-18-32)21-23-46(30-41)28-31-11-4-3-5-12-31)39(50)48-25-24-47(40(51)52-37-16-7-6-14-34(37)42)29-36(48)38(49)43-27-33-13-10-26-53-33/h3-7,10-14,16,26,32,35-36,44H,8-9,15,17-25,27-30H2,1-2H3,(H,43,49)/t32?,35-,36+,41?/m1/s1 LYZOUUZHYAWKLD-QTLAVVGKSA-N 476434 2-chlorophenyl (3S)-4-[N2-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 90 Coagulation factor XII 0.700 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257609 442076486 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987617 CN(C)CCCC[C@@H](NC1CCC(CN)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl InChI=1S/C32H47ClN6O4S/c1-37(2)16-6-5-10-27(36-24-14-12-23(20-34)13-15-24)31(41)39-18-17-38(32(42)43-29-11-4-3-9-26(29)33)22-28(39)30(40)35-21-25-8-7-19-44-25/h3-4,7-9,11,19,23-24,27-28,36H,5-6,10,12-18,20-22,34H2,1-2H3,(H,35,40)/t23?,24?,27-,28+/m1/s1 IYHLYHPQEPSOMD-KXOSSASBSA-N 476435 2-chlorophenyl (3S)-4-{N2-[4- (aminomethyl)cyclohexyl]-N6,N6- dimethyl-D-lysyl}-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 91 Coagulation factor XII 12.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257600 442076487 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987618 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)NC2CCC(CN)CC2)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN InChI=1S/C40H56ClN7O5/c1-46(2)19-7-6-10-33(45-31-16-12-27(23-42)13-17-31)39(50)48-21-20-47(40(51)53-35-18-15-29-8-4-5-9-32(29)37(35)41)26-34(48)38(49)44-25-28-11-14-30(24-43)36(22-28)52-3/h4-5,8-9,11,14-15,18,22,27,31,33-34,45H,6-7,10,12-13,16-17,19-21,23-26,42-43H2,1-3H3,(H,44,49)/t27?,31?,33-,34+/m1/s1 AGTKCJQDBPLCPC-GIZZIATHSA-N 476436 1-chloronaphthalen-2-yl (3S)-4-{N2- [4-(aminomethyl)cyclohexyl]-N6,N6- dimethyl-D-lysyl}-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}piperazine- 1-carboxylate::US10875851, Example 92 Coagulation factor XII 2.90 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476436&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257500 442076488 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987619 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)CC1CCCC1 InChI=1S/C41H62N6O3S/c1-44(2)22-9-8-16-36(43-34-17-19-41(20-18-34)21-23-45(31-41)29-33-13-4-3-5-14-33)40(50)47-25-24-46(38(48)27-32-11-6-7-12-32)30-37(47)39(49)42-28-35-15-10-26-51-35/h3-5,10,13-15,26,32,34,36-37,43H,6-9,11-12,16-25,27-31H2,1-2H3,(H,42,49)/t34?,36-,37+,41?/m1/s1 PZJSOPBELHUEHX-RHOOGNOTSA-N 476437 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4- (cyclopentylacetyl)-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 93 Coagulation factor XII 23.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476437&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257537 442076489 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987620 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)c(Cl)c1C InChI=1S/C34H47ClN4O4S/c1-23-15-16-30(31(35)24(23)2)43-34(42)38-17-18-39(29(22-38)32(40)36-21-27-14-9-19-44-27)33(41)28(20-25-10-5-3-6-11-25)37-26-12-7-4-8-13-26/h9,14-16,19,25-26,28-29,37H,3-8,10-13,17-18,20-22H2,1-2H3,(H,36,40)/t28-,29+/m1/s1 JDLBYJOPZLMSKR-WDYNHAJCSA-N 476438 2-chloro-3,4-dimethylphenyl (3S)-4- (N,3-dicyclohexyl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 94 Coagulation factor XII 7.50 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476438&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263663 442076490 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987621 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCOCC1)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C43H57ClN6O5S/c44-36-12-4-5-14-39(36)55-42(53)49-22-23-50(38(31-49)40(51)45-29-35-11-8-28-56-35)41(52)37(13-6-7-20-47-24-26-54-27-25-47)46-34-15-17-43(18-16-34)19-21-48(32-43)30-33-9-2-1-3-10-33/h1-5,8-12,14,28,34,37-38,46H,6-7,13,15-27,29-32H2,(H,45,51)/t34?,37-,38+,43?/m1/s1 CADYTHLGFAEGGL-RSGXDSATSA-N 476439 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-6-morpholin- 4-yl-D-norleucyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 95 Coagulation factor XII 1.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263667 442076491 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987622 CN(C)CCCC[C@@H](N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Cc1cccc2CNCCc12 InChI=1S/C46H65N7O3S/c1-49(2)24-8-7-16-41(50(3)38-17-20-46(21-18-38)22-25-51(34-46)32-35-11-5-4-6-12-35)45(56)53-27-26-52(33-42(53)44(55)48-31-39-15-10-28-57-39)43(54)29-36-13-9-14-37-30-47-23-19-40(36)37/h4-6,9-15,28,38,41-42,47H,7-8,16-27,29-34H2,1-3H3,(H,48,55)/t38?,41-,42+,46?/m1/s1 WDMVALXQXAIRHT-SSKCCSPVSA-N 476440 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N2,N6,N6- trimethyl-D-lysyl]-4-(1,2,3,4- tetrahydroisoquinolin-5-ylacetyl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 96 Coagulation factor XII 11.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476440&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257574 442076492 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987623 Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCCCC1 InChI=1S/C34H48ClN5O4S/c35-28-15-5-6-17-31(28)44-34(43)39-21-22-40(30(25-39)32(41)36-24-27-14-11-23-45-27)33(42)29(37-26-12-3-1-4-13-26)16-7-10-20-38-18-8-2-9-19-38/h5-6,11,14-15,17,23,26,29-30,37H,1-4,7-10,12-13,16,18-22,24-25H2,(H,36,41)/t29-,30+/m1/s1 GWSOFATXHLQPNH-IHLOFXLRSA-N 476441 2-chlorophenyl (3S)-4-(N-cyclohexyl- 6-piperidin-1-yl-D-norleucyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 97 Coagulation factor XII 0.700 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263799 442076493 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987624 CN(C)CCCC[C@@H](N)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C27H38ClN5O4S/c1-18-10-11-23(24(28)19(18)2)37-27(36)32-13-14-33(26(35)21(29)9-5-6-12-31(3)4)22(17-32)25(34)30-16-20-8-7-15-38-20/h7-8,10-11,15,21-22H,5-6,9,12-14,16-17,29H2,1-4H3,(H,30,34)/t21-,22+/m1/s1 FHZSGHIMPQNNEN-YADHBBJMSA-N 476442 2-chloro-3,4-dimethylphenyl (3S)-4- (N6,N6-dimethyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 98 Coagulation factor XII 7.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476442&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257354 442076494 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987625 CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)CC1CCCC1 InChI=1S/C31H51N5O3S/c1-34(2)17-9-8-16-27(33-25-13-4-3-5-14-25)31(39)36-19-18-35(29(37)21-24-11-6-7-12-24)23-28(36)30(38)32-22-26-15-10-20-40-26/h10,15,20,24-25,27-28,33H,3-9,11-14,16-19,21-23H2,1-2H3,(H,32,38)/t27-,28+/m1/s1 FALKQHSVQTXMCG-IZLXSDGUSA-N 476443 (2S)-1-(N2-cyclohexyl-N6,N6- dimethyl-D-lysyl)-4- (cyclopentylacetyl)-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 99 Coagulation factor XII 29.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476443&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257331 442076495 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987626 CN(C)CCCC[C@@H](N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C44H61ClN6O4S/c1-32-16-17-39(40(45)33(32)2)55-43(54)50-25-26-51(38(30-50)41(52)46-28-36-14-11-27-56-36)42(53)37(15-9-10-23-47(3)4)48(5)35-18-20-44(21-19-35)22-24-49(31-44)29-34-12-7-6-8-13-34/h6-8,11-14,16-17,27,35,37-38H,9-10,15,18-26,28-31H2,1-5H3,(H,46,52)/t35?,37-,38+,44?/m1/s1 LTTUJXGLXOLSAL-VRMJWWLNSA-N 476444 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N2,N6,N6-trimethyl-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 100 Coagulation factor XII 0.500 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476444&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257332 442076496 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987627 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C34H50ClN5O4S/c1-24-16-17-30(31(35)25(24)2)44-34(43)39-19-20-40(29(23-39)32(41)36-22-27-14-11-21-45-27)33(42)28(15-9-10-18-37(3)4)38(5)26-12-7-6-8-13-26/h11,14,16-17,21,26,28-29H,6-10,12-13,15,18-20,22-23H2,1-5H3,(H,36,41)/t28-,29+/m1/s1 VSNWXFCTLYWZOV-WDYNHAJCSA-N 476445 2-chloro-3,4-dimethylphenyl (3S)-4- (N2-cyclohexyl-N2,N6,N6-trimethyl-D- lysyl)-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 101 Coagulation factor XII 0.100 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476445&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257577 442076497 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987628 CC(C)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C34H50ClN5O4S/c1-23(2)36-17-9-8-14-28(38-26-11-6-5-7-12-26)33(42)40-19-18-39(22-29(40)32(41)37-21-27-13-10-20-45-27)34(43)44-30-16-15-24(3)25(4)31(30)35/h10,13,15-16,20,23,26,28-29,36,38H,5-9,11-12,14,17-19,21-22H2,1-4H3,(H,37,41)/t28-,29+/m1/s1 UXGSPHQPLYXCBN-WDYNHAJCSA-N 476446 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-cyclohexyl-N6-(1-methylethyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 102 Coagulation factor XII 0.700 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476446&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257564 442076498 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987629 CC(C)NCCCC[C@@H](NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C31H46ClN5O4S/c1-20(2)33-14-8-7-11-25(35-21(3)4)30(39)37-16-15-36(19-26(37)29(38)34-18-24-10-9-17-42-24)31(40)41-27-13-12-22(5)23(6)28(27)32/h9-10,12-13,17,20-21,25-26,33,35H,7-8,11,14-16,18-19H2,1-6H3,(H,34,38)/t25-,26+/m1/s1 GGMGYOUIRZMWJJ-FTJBHMTQSA-N 476447 2-chloro-3,4-dimethylphenyl (3S)-4- [N2,N6-bis(1-methylethyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 103 Coagulation factor XII 1.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476447&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257393 442076499 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987630 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CCCCN2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Cl)c1C InChI=1S/C46H63ClN6O4S/c1-34-16-17-41(42(47)35(34)2)57-45(56)52-27-28-53(40(32-52)43(54)48-30-38-14-11-29-58-38)44(55)39(15-7-10-25-50-23-8-4-9-24-50)49-37-18-20-46(21-19-37)22-26-51(33-46)31-36-12-5-3-6-13-36/h3,5-6,11-14,16-17,29,37,39-40,49H,4,7-10,15,18-28,30-33H2,1-2H3,(H,48,54)/t37?,39-,40+,46?/m1/s1 BBSWYLBBGODMRK-QEMWCTAXSA-N 476448 2-chloro-3,4-dimethylphenyl (3S)-4- [N-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-6-piperidin-1-yl-D-norleucyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 104 Coagulation factor XII 0.200 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476448&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263685 442076500 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987631 CC(C)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C44H61ClN6O4S/c1-31(2)46-22-9-8-14-37(48-35-17-19-44(20-18-35)21-23-49(30-44)28-34-11-6-5-7-12-34)42(53)51-25-24-50(29-38(51)41(52)47-27-36-13-10-26-56-36)43(54)55-39-16-15-32(3)33(4)40(39)45/h5-7,10-13,15-16,26,31,35,37-38,46,48H,8-9,14,17-25,27-30H2,1-4H3,(H,47,52)/t35?,37-,38+,44?/m1/s1 DQZSGHICFLDQDT-VRMJWWLNSA-N 476449 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N6-(1-methylethyl)-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 105 Coagulation factor XII 0.500 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257529 442076501 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987632 CC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C33H46ClN5O5/c1-5-26(37-25-9-7-6-8-10-25)32(41)39-16-15-38(33(42)44-28-14-11-21(2)22(3)30(28)34)20-27(39)31(40)36-19-23-12-13-24(18-35)29(17-23)43-4/h11-14,17,25-27,37H,5-10,15-16,18-20,35H2,1-4H3,(H,36,40)/t26-,27+/m1/s1 UCMDOAFSHLDCES-SXOMAYOGSA-N 476450 2-chloro-3,4-dimethylphenyl (3S)-3- {[4-(aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[(2R)- 2- (cyclohexylamino)butanoyl]piperazine- 1-carboxylate::US10875851, Example 106 Coagulation factor XII 6.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476450&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263716 442076502 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987633 CC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C43H57ClN6O5/c1-5-35(47-34-15-17-43(18-16-34)19-20-48(28-43)26-31-9-7-6-8-10-31)41(52)50-22-21-49(42(53)55-37-14-11-29(2)30(3)39(37)44)27-36(50)40(51)46-25-32-12-13-33(24-45)38(23-32)54-4/h6-14,23,34-36,47H,5,15-22,24-28,45H2,1-4H3,(H,46,51)/t34?,35-,36+,43?/m1/s1 ILRYUBRXPHPWHS-LABSLUORSA-N 476451 2-chloro-3,4-dimethylphenyl (3S)-3- {[4-(aminomethyl)-3- methoxybenzyl]carbamoyl}-4-{(2R)- 2-[(2-benzyl-2-azaspiro[4.5]dec-8- yl)amino]butanoyl}piperazine-1- carboxylate::US10875851, Example 107 Coagulation factor XII 14.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476451&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263715 442076503 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987634 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C43H59ClN6O4S/c1-31-15-16-38(39(44)32(31)2)54-42(53)49-24-25-50(37(29-49)40(51)45-27-35-13-10-26-55-35)41(52)36(14-8-9-22-47(3)4)46-34-17-19-43(20-18-34)21-23-48(30-43)28-33-11-6-5-7-12-33/h5-7,10-13,15-16,26,34,36-37,46H,8-9,14,17-25,27-30H2,1-4H3,(H,45,51)/t34?,36-,37+,43?/m1/s1 KFWNBKMGONOSOO-UFIVNUEWSA-N 476452 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-N6,N6-dimethyl-D-lysyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 108 Coagulation factor XII 0.300 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476452&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257430 442076504 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987635 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H](CCCCN2CCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Cl)c1C InChI=1S/C45H61ClN6O4S/c1-33-15-16-40(41(46)34(33)2)56-44(55)51-26-27-52(39(31-51)42(53)47-29-37-13-10-28-57-37)43(54)38(14-6-7-22-49-23-8-9-24-49)48-36-17-19-45(20-18-36)21-25-50(32-45)30-35-11-4-3-5-12-35/h3-5,10-13,15-16,28,36,38-39,48H,6-9,14,17-27,29-32H2,1-2H3,(H,47,53)/t36?,38-,39+,45?/m1/s1 UBNGSILVZFWZDS-HXRMPTFNSA-N 476453 2-chloro-3,4-dimethylphenyl (3S)-4- [N-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-6-pyrrolidin-1-yl-D-norleucyl]-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 109 Coagulation factor XII 1.000 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476453&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263855 442076505 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987636 CC1CCCN1CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl InChI=1S/C46H63ClN6O4S/c1-33-16-17-41(42(47)35(33)3)57-45(56)52-26-27-53(40(31-52)43(54)48-29-38-14-10-28-58-38)44(55)39(15-7-8-23-51-24-9-11-34(51)2)49-37-18-20-46(21-19-37)22-25-50(32-46)30-36-12-5-4-6-13-36/h4-6,10,12-14,16-17,28,34,37,39-40,49H,7-9,11,15,18-27,29-32H2,1-3H3,(H,48,54)/t34?,37?,39-,40+,46?/m1/s1 JJMMHLSLGAYCNO-IZLAINBBSA-N 476454 2-chloro-3,4-dimethylphenyl (3S)-4- [N-(2-benzyl-2-azaspiro[4.5]dec-8- yl)-6-(2-methylpyrrolidin-1-yl)-D- norleucyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 110 Coagulation factor XII 0.300 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476454&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263686 442076506 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987637 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@H](N)CCCCN2CCCCC2)c(Cl)c1C InChI=1S/C30H42ClN5O4S/c1-21-11-12-26(27(31)22(21)2)40-30(39)35-16-17-36(25(20-35)28(37)33-19-23-9-8-18-41-23)29(38)24(32)10-4-7-15-34-13-5-3-6-14-34/h8-9,11-12,18,24-25H,3-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t24-,25+/m1/s1 FVRKZMOQGRNDJX-RPBOFIJWSA-N 476455 2-chloro-3,4-dimethylphenyl (3S)-4- (6-piperidin-1-yl-D-norleucyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 111 Coagulation factor XII 5.00 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476455&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263687 442076507 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987638 Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H]2NCCC[C@@H]2CCC[N+](C)(C)C)c(Cl)c1C InChI=1S/C31H44ClN5O4S/c1-21-12-13-26(27(32)22(21)2)41-31(40)35-15-16-36(25(20-35)29(38)34-19-24-11-8-18-42-24)30(39)28-23(9-6-14-33-28)10-7-17-37(3,4)5/h8,11-13,18,23,25,28,33H,6-7,9-10,14-17,19-20H2,1-5H3/p+1/t23-,25+,28-/m1/s1 QLEBZDKWRJXENI-FKIGELJASA-O 476347 3-[(2R,3R)-2-({(2S)-4-[(2-chloro-3,4- dimethylphenoxy)carbonyl]-2- [(thiophen-2- ylmethyl)carbamoyl]piperazin-1- yl}carbonyl)piperidin-3-yl]-N,N,N- trimethylpropan-1-aminium::US10875851, Example 112::US10875851, Example 3 Coagulation factor XII 13.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476347&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257488 442076403 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987639 CS(=O)(=O)NCCCC[C@@H](NC1CCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc2ccccc2c1Cl InChI=1S/C33H42ClN5O6S2/c1-47(43,44)36-17-7-6-14-27(37-24-10-3-4-11-24)32(41)39-19-18-38(22-28(39)31(40)35-21-25-12-8-20-46-25)33(42)45-29-16-15-23-9-2-5-13-26(23)30(29)34/h2,5,8-9,12-13,15-16,20,24,27-28,36-37H,3-4,6-7,10-11,14,17-19,21-22H2,1H3,(H,35,40)/t27-,28+/m1/s1 VHXRJQSFZWKUKL-IZLXSDGUSA-N 476457 1-chloronaphthalen-2-yl (3S)-4-[N2- cyclopentyl-N~6~-(methylsulfonyl)- D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 113 Coagulation factor XII 8.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476457&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263770 442076508 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987640 C[C@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C35H49N5O3S/c1-25-32(27-14-7-3-8-15-27)43-35(37-25)39-19-20-40(31(24-39)33(41)36-23-29-18-11-21-44-29)34(42)30(22-26-12-5-2-6-13-26)38-28-16-9-4-10-17-28/h3,7-8,11,14-15,18,21,25-26,28,30-32,38H,2,4-6,9-10,12-13,16-17,19-20,22-24H2,1H3,(H,36,41)/t25-,30-,31+,32-/m1/s1 CTYNKFLWABFRHE-BESSAKRQSA-N 476458 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- [(4R,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 114 Coagulation factor XII 17.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476458&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search UJ7 6X0T 146257435 442076509 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987641 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C34H50N6O3S/c1-25(2)36-29(16-8-11-19-38-17-9-5-10-18-38)33(42)40-21-20-39(24-30(40)32(41)35-23-28-15-12-22-44-28)34-37-26(3)31(43-34)27-13-6-4-7-14-27/h4,6-7,12-15,22,25-26,29-31,36H,5,8-11,16-21,23-24H2,1-3H3,(H,35,41)/t26-,29+,30-,31+/m0/s1 YIPMFJWNVCSJGT-KNXMMVSXSA-N 476459 (2S)-1-[N-(1-methylethyl)-6-piperidin- 1-yl-D-norleucyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 115 Coagulation factor XII 3.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476459&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257416 442076510 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987642 C[C@@H]1N=C(O[C@H]1c1cccc(c1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C34H47N7O5S2/c1-24-31(26-11-8-10-25(20-26)21-35)46-34(38-24)40-17-18-41(30(23-40)32(42)36-22-28-14-9-19-47-28)33(43)29(39-27-12-4-3-5-13-27)15-6-7-16-37-48(2,44)45/h8-11,14,19-20,24,27,29-31,37,39H,3-7,12-13,15-18,22-23H2,1-2H3,(H,36,42)/t24-,29+,30-,31+/m0/s1 RATQLHPSFNYSJX-QIXIFPRPSA-N 476460 (2S)-4-[(4S,5S)-5-(3-cyanophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 116 Coagulation factor XII 17.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476460&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257321 442076511 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987643 C[C@@H]1N=C(O[C@H]1c1cccc(CN)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C34H52N7O5S2/c1-24-31(26-11-8-10-25(20-26)21-35)46-34(38-24)40-17-18-41(30(23-40)32(42)36-22-28-14-9-19-47-28)33(43)29(39-27-12-4-3-5-13-27)15-6-7-16-37-48(2,44)45/h8-11,14,19-20,24,27,29-31,37-39H,3-7,12-13,15-18,21-23,35H2,1-2H3,(H,36,42)/t24-,29+,30-,31+/m0/s1 UXWDRYOJFUAWSY-QIXIFPRPSA-N 476461 (2S)-4-{(4S,5S)-5-[3- (aminomethyl)phenyl]-4-methyl-4,5- dihydro-1,3-oxazol-2-yl}-1-[N2- cyclohexyl-N6-(methylsulfonyl)-D- lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 117 Coagulation factor XII 5.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476461&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257344 442076512 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987644 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC(C)C)C2=N[C@@H](C)[C@@H](O2)c2ccccc2)ccc1CN InChI=1S/C38H57N7O4/c1-27(2)41-32(15-9-12-20-43-18-10-6-11-19-43)37(47)45-22-21-44(38-42-28(3)35(49-38)30-13-7-5-8-14-30)26-33(45)36(46)40-25-29-16-17-31(24-39)34(23-29)48-4/h5,7-8,13-14,16-17,23,27-28,32-33,35,41H,6,9-12,15,18-22,24-26,39H2,1-4H3,(H,40,46)/t28-,32+,33-,35+/m0/s1 PFQPCWZQDIERCN-ZEDQJVKGSA-N 476462 (2S)-N-[4-(aminomethyl)-3- methoxybenzyl]-1-[N-(1-methylethyl)- 6-piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 118 Coagulation factor XII 8.10 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476462&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257390 442076513 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987645 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCC(CC1)C(N)=O)[C@H]1CC[C@@H](CC1)N1CCCCC1 InChI=1S/C40H57N7O4S/c1-27-36(29-9-4-2-5-10-29)51-40(43-27)46-22-23-47(34(26-46)38(49)42-25-33-11-8-24-52-33)39(50)35(44-31-16-12-30(13-17-31)37(41)48)28-14-18-32(19-15-28)45-20-6-3-7-21-45/h2,4-5,8-11,24,27-28,30-32,34-36,44H,3,6-7,12-23,25-26H2,1H3,(H2,41,48)(H,42,49)/t27-,28-,30?,31?,32-,34-,35+,36+/m0/s1 XICKBXKBCNSYBR-HYICRAEPSA-N 476463 (2S)-1-[(2R)-2-[(4- carbamoylcyclohexyl)amino]-2-(trans- 4-piperidin-1-ylcyclohexyl)acetyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 119 Coagulation factor XII 1.50 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476463&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257531 442076514 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987646 CC(C)N[C@H]([C@H]1CC[C@@H](CC1)NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C34H50N6O3S/c1-22(2)36-27-15-13-25(14-16-27)30(37-23(3)4)33(42)40-18-17-39(21-29(40)32(41)35-20-28-12-9-19-44-28)34-38-24(5)31(43-34)26-10-7-6-8-11-26/h6-12,19,22-25,27,29-31,36-37H,13-18,20-21H2,1-5H3,(H,35,41)/t24-,25-,27-,29-,30+,31+/m0/s1 HGBCWGOUPAKLBU-QTGCLLNNSA-N 476464 (2S)-1-[(2R)-2-[(1- methylethyl)amino]-2-{trans-4-[(1- methylethyl)amino]cyclohexyl}acetyl]- 4-[(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 120 Coagulation factor XII 5.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476464&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257588 442076515 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987647 CC(C)N[C@H](CC1CCN(CC1)C(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C34H50N6O3S/c1-23(2)36-29(20-26-13-15-38(16-14-26)24(3)4)33(42)40-18-17-39(22-30(40)32(41)35-21-28-12-9-19-44-28)34-37-25(5)31(43-34)27-10-7-6-8-11-27/h6-12,19,23-26,29-31,36H,13-18,20-22H2,1-5H3,(H,35,41)/t25-,29+,30-,31+/m0/s1 QABSCUFOMVVDOJ-IQAPJIGKSA-N 476465 (2S)-1-{N-(1-methylethyl)-3-[1-(1- methylethyl)piperidin-4-yl]-D-alanyl}- 4-[(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 121 Coagulation factor XII 10.00 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476465&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134523664 442076516 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987648 C[C@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H48N6O5S2/c1-24-30(25-12-5-3-6-13-25)44-33(36-24)38-19-20-39(29(23-38)31(40)34-22-27-16-11-21-45-27)32(41)28(37-26-14-7-4-8-15-26)17-9-10-18-35-46(2,42)43/h3,5-6,11-13,16,21,24,26,28-30,35,37H,4,7-10,14-15,17-20,22-23H2,1-2H3,(H,34,40)/t24-,28-,29+,30-/m1/s1 RMSRFWDFAHAENX-UDKDNODWSA-N 476466 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-[(4R,5S)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 122::US10875851, Example 151 Coagulation factor XII 13.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257602 442076517 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987649 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H48N6O5S2/c1-24-30(25-12-5-3-6-13-25)44-33(36-24)38-19-20-39(29(23-38)31(40)34-22-27-16-11-21-45-27)32(41)28(37-26-14-7-4-8-15-26)17-9-10-18-35-46(2,42)43/h3,5-6,11-13,16,21,24,26,28-30,35,37H,4,7-10,14-15,17-20,22-23H2,1-2H3,(H,34,40)/t24-,28+,29-,30+/m0/s1 RMSRFWDFAHAENX-NDMKBUGQSA-N 476467 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-[(4S,5S)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 123 Coagulation factor XII 7.00 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476467&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257569 442076518 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987650 C[C@@H]1N=C(O[C@H]1c1cccc(Br)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)C(CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H47BrN6O5S2/c1-23-30(24-10-8-11-25(34)20-24)45-33(37-23)39-17-18-40(29(22-39)31(41)35-21-27-14-9-19-46-27)32(42)28(38-26-12-4-3-5-13-26)15-6-7-16-36-47(2,43)44/h8-11,14,19-20,23,26,28-30,36,38H,3-7,12-13,15-18,21-22H2,1-2H3,(H,35,41)/t23-,28?,29-,30+/m0/s1 VOVWEKDAYXXXSI-CNXRBOTJSA-N 476468 (2S)-4-[(4S,5S)-5-(3-bromophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 124 Coagulation factor XII 24.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476468&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156023196 442076519 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987651 C[C@@H]1N=C(O[C@H]1c1cccc(Cl)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H47ClN6O5S2/c1-23-30(24-10-8-11-25(34)20-24)45-33(37-23)39-17-18-40(29(22-39)31(41)35-21-27-14-9-19-46-27)32(42)28(38-26-12-4-3-5-13-26)15-6-7-16-36-47(2,43)44/h8-11,14,19-20,23,26,28-30,36,38H,3-7,12-13,15-18,21-22H2,1-2H3,(H,35,41)/t23-,28+,29-,30+/m0/s1 IACVLZMRYPNLFG-VQCLQPKNSA-N 476469 (2S)-4-[(4S,5S)-5-(3-chlorophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 125 Coagulation factor XII 23.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476469&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257604 442076520 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987652 CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NCC2(CCCCC2)O1 InChI=1S/C31H50N6O5S2/c1-44(40,41)34-17-9-6-14-26(35-24-11-4-2-5-12-24)29(39)37-19-18-36(30-33-23-31(42-30)15-7-3-8-16-31)22-27(37)28(38)32-21-25-13-10-20-43-25/h10,13,20,24,26-27,34-35H,2-9,11-12,14-19,21-23H2,1H3,(H,32,38)/t26-,27+/m1/s1 CRSFQWAILFSKPV-SXOMAYOGSA-N 476470 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-(1-oxa-3- azaspiro[4.5]dec-2-en-2-yl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 126 Coagulation factor XII 21.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476470&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257495 442076521 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987653 C[C@@H]1N=C(O[C@H]1c1ccccc1C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C34H47N7O5S2/c1-24-31(28-15-7-6-11-25(28)21-35)46-34(38-24)40-18-19-41(30(23-40)32(42)36-22-27-14-10-20-47-27)33(43)29(39-26-12-4-3-5-13-26)16-8-9-17-37-48(2,44)45/h6-7,10-11,14-15,20,24,26,29-31,37,39H,3-5,8-9,12-13,16-19,22-23H2,1-2H3,(H,36,42)/t24-,29+,30-,31+/m0/s1 UBEIAGOISNYVQV-QIXIFPRPSA-N 476471 (2S)-4-[(4S,5S)-5-(2-cyanophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 127 Coagulation factor XII 18.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476471&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257625 442076522 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987654 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C43H59N7O5S2/c1-32-39(34-14-7-4-8-15-34)55-42(46-32)49-25-26-50(38(30-49)40(51)44-28-36-16-11-27-56-36)41(52)37(17-9-10-23-45-57(2,53)54)47-35-18-20-43(21-19-35)22-24-48(31-43)29-33-12-5-3-6-13-33/h3-8,11-16,27,32,35,37-39,45,47H,9-10,17-26,28-31H2,1-2H3,(H,44,51)/t32-,35?,37+,38-,39+,43?/m0/s1 DOWFRFOWSMVKLV-FVSSFISOSA-N 476472 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6- (methylsulfonyl)-D-lysyl]-4-[(4S,5S)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 128 Coagulation factor XII 10.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476472&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257724 442076523 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987655 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C42H57N7O3S/c1-31-38(33-13-6-3-7-14-33)52-41(45-31)48-24-25-49(37(29-48)39(50)44-27-35-15-10-26-53-35)40(51)36(16-8-9-22-43)46-34-17-19-42(20-18-34)21-23-47(30-42)28-32-11-4-2-5-12-32/h2-7,10-15,26,31,34,36-38,46H,8-9,16-25,27-30,43H2,1H3,(H,44,50)/t31-,34?,36+,37-,38+,42?/m0/s1 RDMBQDKRBSXIJH-BSQPXIMKSA-N 476473 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-D-lysyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 129 Coagulation factor XII 13.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476473&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257319 442076524 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987656 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C45H63N7O3S/c1-34-41(36-16-9-6-10-17-36)55-44(47-34)51-27-28-52(40(32-51)42(53)46-30-38-18-13-29-56-38)43(54)39(19-11-12-25-48(2)3)49(4)37-20-22-45(23-21-37)24-26-50(33-45)31-35-14-7-5-8-15-35/h5-10,13-18,29,34,37,39-41H,11-12,19-28,30-33H2,1-4H3,(H,46,53)/t34-,37?,39+,40-,41+,45?/m0/s1 DAUXTYXLWJPADT-FCMREHKESA-N 476474 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 130::US10875851, Example 131 Coagulation factor XII 1.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476474&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257580 442076525 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987657 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)N(C)C1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C45H63N7O3S/c1-34-41(36-16-9-6-10-17-36)55-44(47-34)51-27-28-52(40(32-51)42(53)46-30-38-18-13-29-56-38)43(54)39(19-11-12-25-48(2)3)49(4)37-20-22-45(23-21-37)24-26-50(33-45)31-35-14-7-5-8-15-35/h5-10,13-18,29,34,37,39-41H,11-12,19-28,30-33H2,1-4H3,(H,46,53)/t34-,37?,39+,40-,41+,45?/m0/s1 DAUXTYXLWJPADT-FCMREHKESA-N 476474 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 130::US10875851, Example 131 Coagulation factor XII 1.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476474&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257580 442076525 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987658 C[C@@H]1N=C(O[C@H]1c1ccc(cc1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C34H47N7O5S2/c1-24-31(26-15-13-25(21-35)14-16-26)46-34(38-24)40-18-19-41(30(23-40)32(42)36-22-28-11-8-20-47-28)33(43)29(39-27-9-4-3-5-10-27)12-6-7-17-37-48(2,44)45/h8,11,13-16,20,24,27,29-31,37,39H,3-7,9-10,12,17-19,22-23H2,1-2H3,(H,36,42)/t24-,29+,30-,31+/m0/s1 ABCHEZNYPFCFNO-QIXIFPRPSA-N 476476 (2S)-[(4S,5S)-5-(4-cyanophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-[N2-cyclohexyl-N6-(methylsulfonyl)- D-lysyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 132 Coagulation factor XII 52.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476476&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263691 442076526 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987659 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC(CN)CC1 InChI=1S/C35H53N7O3S/c1-25-32(27-10-5-4-6-11-27)45-35(38-25)41-19-20-42(31(24-41)33(43)37-23-29-12-9-21-46-29)34(44)30(13-7-8-18-40(2)3)39-28-16-14-26(22-36)15-17-28/h4-6,9-12,21,25-26,28,30-32,39H,7-8,13-20,22-24,36H2,1-3H3,(H,37,43)/t25-,26?,28?,30+,31-,32+/m0/s1 BJRDXVMPTYHKHN-PYIKRYMESA-N 476477 (2S)-1-{N2-[4- (aminomethyl)cyclohexyl]-N6,N6- dimethyl-D-lysyl}-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 133 Coagulation factor XII 6.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476477&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257408 442076527 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987660 C[C@@H]1N=C(O[C@H]1c1cccc(C)c1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C34H50N6O5S2/c1-24-11-9-12-26(21-24)31-25(2)37-34(45-31)39-18-19-40(30(23-39)32(41)35-22-28-15-10-20-46-28)33(42)29(38-27-13-5-4-6-14-27)16-7-8-17-36-47(3,43)44/h9-12,15,20-21,25,27,29-31,36,38H,4-8,13-14,16-19,22-23H2,1-3H3,(H,35,41)/t25-,29+,30-,31+/m0/s1 NARKSXVJTMZWAN-IQAPJIGKSA-N 476478 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-[(4S,5S)- 4-methyl-5-(3-methylphenyl)-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 134 Coagulation factor XII 10.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476478&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257512 442076528 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987661 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C44H61N7O3S/c1-33-40(35-15-8-5-9-16-35)54-43(46-33)50-26-27-51(39(31-50)41(52)45-29-37-17-12-28-55-37)42(53)38(18-10-11-24-48(2)3)47-36-19-21-44(22-20-36)23-25-49(32-44)30-34-13-6-4-7-14-34/h4-9,12-17,28,33,36,38-40,47H,10-11,18-27,29-32H2,1-3H3,(H,45,52)/t33-,36?,38+,39-,40+,44?/m0/s1 YLAUIUPHFHFBRG-UAKCHKLZSA-N 476479 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 135 Coagulation factor XII 0.800 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476479&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257324 442076529 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987662 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C44H61N7O3S/c1-33-40(35-15-8-5-9-16-35)54-43(46-33)50-26-27-51(39(31-50)41(52)45-29-37-17-12-28-55-37)42(53)38(18-10-11-24-48(2)3)47-36-19-21-44(22-20-36)23-25-49(32-44)30-34-13-6-4-7-14-34/h4-9,12-17,28,33,36,38-40,47H,10-11,18-27,29-32H2,1-3H3,(H,45,52)/t33-,36?,38-,39-,40+,44?/m0/s1 YLAUIUPHFHFBRG-BRPXIKLFSA-N 476480 (2S)-1-N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-L-lysyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 136 Coagulation factor XII 23.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476480&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263808 442076530 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987663 CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C36H51N5O3S/c1-36(2)32(27-15-8-4-9-16-27)44-35(39-36)40-20-21-41(31(25-40)33(42)37-24-29-19-12-22-45-29)34(43)30(23-26-13-6-3-7-14-26)38-28-17-10-5-11-18-28/h4,8-9,12,15-16,19,22,26,28,30-32,38H,3,5-7,10-11,13-14,17-18,20-21,23-25H2,1-2H3,(H,37,42)/t30-,31+,32?/m1/s1 UTABTEKQFBFYOL-ZYWOQNTESA-N 476481 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- (4,4-dimethyl-5-phenyl-4,5-dihydro- 1,3-oxazol-2-yl)-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 137::US10875851, Example 140 Coagulation factor XII 23.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257409 442076531 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987664 C[C@@H]1N=C(O[C@H]1c1cccc(c1)C#N)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCCCC1 InChI=1S/C35H49N7O3S/c1-25-32(27-12-9-11-26(21-27)22-36)45-35(38-25)41-18-19-42(31(24-41)33(43)37-23-29-15-10-20-46-29)34(44)30(16-7-8-17-40(2)3)39-28-13-5-4-6-14-28/h9-12,15,20-21,25,28,30-32,39H,4-8,13-14,16-19,23-24H2,1-3H3,(H,37,43)/t25-,30+,31-,32+/m0/s1 FKXSEWPZWBQOMC-QGWJVEIISA-N 476482 (2S)-4[(4S,5S)-5-(3-cyanophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-(N2-cyclohexyl-N6,N6-dimethyl-D- lysyl)-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 138 Coagulation factor XII 1.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476482&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263793 442076532 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987665 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C33H47ClN6O3/c1-33(2)29(25-14-8-7-9-15-25)43-32(36-33)39-19-20-40(31(42)27(38(5)6)17-10-11-18-37(3)4)28(23-39)30(41)35-22-24-13-12-16-26(34)21-24/h7-9,12-16,21,27-29H,10-11,17-20,22-23H2,1-6H3,(H,35,41)/t27-,28+,29?/m1/s1 HVJRYKZVMBNLCP-PEIRWHMSSA-N 476483 (2S)-N-(3-chlorobenzyl)-4-(4,4- dimethyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl)-1-(N2,N2,N6,N6- tetramethyl-D-lysyl)piperazine-2- carboxamide::US10875851, Example 139 Coagulation factor XII 52.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476483&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257429 442076533 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987666 CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C36H51N5O3S/c1-36(2)32(27-15-8-4-9-16-27)44-35(39-36)40-20-21-41(31(25-40)33(42)37-24-29-19-12-22-45-29)34(43)30(23-26-13-6-3-7-14-26)38-28-17-10-5-11-18-28/h4,8-9,12,15-16,19,22,26,28,30-32,38H,3,5-7,10-11,13-14,17-18,20-21,23-25H2,1-2H3,(H,37,42)/t30-,31+,32?/m1/s1 UTABTEKQFBFYOL-ZYWOQNTESA-N 476481 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4- (4,4-dimethyl-5-phenyl-4,5-dihydro- 1,3-oxazol-2-yl)-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 137::US10875851, Example 140 Coagulation factor XII 19.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257409 442076531 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987667 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)(C)CO1 InChI=1S/C39H59N7O3S/c1-38(2)29-49-37(42-38)45-22-23-46(34(27-45)35(47)40-25-32-13-10-24-50-32)36(48)33(14-8-9-20-43(3)4)41-31-15-17-39(18-16-31)19-21-44(28-39)26-30-11-6-5-7-12-30/h5-7,10-13,24,31,33-34,41H,8-9,14-23,25-29H2,1-4H3,(H,40,47)/t31?,33-,34+,39?/m1/s1 LKCOGCAGIMSLQK-SCVMGEOMSA-N 476485 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-(4,4-dimethyl- 4,5-dihydro-1,3-oxazol-2-yl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 141 Coagulation factor XII 9.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476485&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257524 442076534 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987668 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C44H61N7O3S/c1-33-40(35-15-8-5-9-16-35)54-43(46-33)50-26-27-51(39(31-50)41(52)45-29-37-17-12-28-55-37)42(53)38(18-10-11-24-48(2)3)47-36-19-21-44(22-20-36)23-25-49(32-44)30-34-13-6-4-7-14-34/h4-9,12-17,28,33,36,38-40,47H,10-11,18-27,29-32H2,1-3H3,(H,45,52)/t33-,36?,38+,39-,40+,44?/m0/s1 YLAUIUPHFHFBRG-UAKCHKLZSA-N 476486 (2S)-1-[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 142 Coagulation factor XII 0.400 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476486&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257324 442076535 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987669 C[C@H]1N=C(O[C@@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN(C)C)NC1CCC2(CCN(Cc3ccccc3)C2)CC1 InChI=1S/C44H61N7O3S/c1-33-40(35-15-8-5-9-16-35)54-43(46-33)50-26-27-51(39(31-50)41(52)45-29-37-17-12-28-55-37)42(53)38(18-10-11-24-48(2)3)47-36-19-21-44(22-20-36)23-25-49(32-44)30-34-13-6-4-7-14-34/h4-9,12-17,28,33,36,38-40,47H,10-11,18-27,29-32H2,1-3H3,(H,45,52)/t33-,36?,38-,39+,40+,44?/m1/s1 YLAUIUPHFHFBRG-XVWJBTFLSA-N 476487 (2S)-1[N2-(2-benzyl-2- azaspiro[4.5]dec-8-yl)-N6,N6- dimethyl-D-lysyl]-4-[(4R,5R)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 143 Coagulation factor XII 9.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476487&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263778 442076536 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987670 CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)(C)CO1 InChI=1S/C29H48N6O3S/c1-29(2)21-38-28(32-29)34-16-17-35(25(20-34)26(36)30-19-23-13-10-18-39-23)27(37)24(14-8-9-15-33(3)4)31-22-11-6-5-7-12-22/h10,13,18,22,24-25,31H,5-9,11-12,14-17,19-21H2,1-4H3,(H,30,36)/t24-,25+/m1/s1 RXGNOERIKPEPIB-RPBOFIJWSA-N 476488 (2S)-1-(N2-cyclohexyl-N6,N6- dimethyl-D-lysyl)-4-(4,4-dimethyl- 4,5-dihydro-1,3-oxazol-2-yl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 144 Coagulation factor XII 29.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476488&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257338 442076537 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987671 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C1=NC(C)(C)C(O1)c1ccccc1 476489 (2S)-N-[(3-chloro-1H-indol-5- yl)methyl]-4-(4,4-dimethyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl)-1- (N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 145::US10875851, Example 146 Coagulation factor XII 6.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476489&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257632 442076538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987672 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C1=NC(C)(C)C(O1)c1ccccc1 476489 (2S)-N-[(3-chloro-1H-indol-5- yl)methyl]-4-(4,4-dimethyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl)-1- (N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 145::US10875851, Example 146 Coagulation factor XII 5.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476489&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257632 442076538 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987673 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C34H47N7O3S/c1-34(2)30(24-12-8-7-9-13-24)44-33(37-34)40-18-19-41(32(43)27(39(5)6)14-10-11-17-38(3)4)28(23-40)31(42)36-22-26-20-25-21-35-16-15-29(25)45-26/h7-9,12-13,15-16,20-21,27-28,30H,10-11,14,17-19,22-23H2,1-6H3,(H,36,42)/t27-,28+,30?/m1/s1 UKNOTOYGBXTHEK-FBMPGHKGSA-N 476491 (2S)-4-(4,4-dimethyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl)-1- (N2,N2,N6,N6-tetramethyl-D-lysyl)-N- (thieno[3,2-c]pyridin-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 147 Coagulation factor XII 44.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476491&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257428 442076539 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987674 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(F)c1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C34H50FN7O3/c1-34(2)30(25-12-8-7-9-13-25)45-33(38-34)41-18-19-42(32(44)28(40(5)6)14-10-11-17-39(3)4)29(23-41)31(43)37-22-24-15-16-26(21-36)27(35)20-24/h7-9,12-13,15-16,20,28-30H,10-11,14,17-19,21-23,36H2,1-6H3,(H,37,43)/t28-,29+,30?/m1/s1 TXDRHMCURVRATL-RAVAVGQKSA-N 476492 (2S)-N-[4-(aminomethyl)-3- fluorobenzyl]-4-(4,4-dimethyl-5- phenyl-4,5-dihydro-1,3-oxazol-2-yl)- 1-(N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 148 Coagulation factor XII 12.7 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476492&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257548 442076540 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987675 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C34H50ClN7O3/c1-34(2)30(25-12-8-7-9-13-25)45-33(38-34)41-18-19-42(32(44)28(40(5)6)14-10-11-17-39(3)4)29(23-41)31(43)37-22-24-15-16-26(21-36)27(35)20-24/h7-9,12-13,15-16,20,28-30H,10-11,14,17-19,21-23,36H2,1-6H3,(H,37,43)/t28-,29+,30?/m1/s1 OOIRYBAMVSNMMR-RAVAVGQKSA-N 476493 (2S)-N-[4-(aminomethyl)-3- chlorobenzyl]-4-(4,4-dimethyl-5- phenyl-4,5-dihydro-1,3-oxazol-2-yl)- 1-(N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 149 Coagulation factor XII 34.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476493&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257583 442076541 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987676 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C32H49N7O3S/c1-32(2)28(24-12-8-7-9-13-24)42-31(35-32)38-16-17-39(30(41)26(37(5)6)14-10-11-15-36(3)4)27(21-38)29(40)34-20-25-18-23(19-33)22-43-25/h7-9,12-13,18,22,26-28H,10-11,14-17,19-21,33H2,1-6H3,(H,34,40)/t26-,27+,28?/m1/s1 WOAXNMFFEYICTJ-ANUFDVCNSA-N 476494 (2S)-N-{[4-(aminomethyl)thiophen-2- yl]methyl}-4-(4,4-dimethyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl)-1- (N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 150 Coagulation factor XII 48.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476494&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257554 442076542 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987677 C[C@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H48N6O5S2/c1-24-30(25-12-5-3-6-13-25)44-33(36-24)38-19-20-39(29(23-38)31(40)34-22-27-16-11-21-45-27)32(41)28(37-26-14-7-4-8-15-26)17-9-10-18-35-46(2,42)43/h3,5-6,11-13,16,21,24,26,28-30,35,37H,4,7-10,14-15,17-20,22-23H2,1-2H3,(H,34,40)/t24-,28-,29+,30-/m1/s1 RMSRFWDFAHAENX-UDKDNODWSA-N 476466 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-[(4R,5S)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 122::US10875851, Example 151 Coagulation factor XII 14.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257602 442076517 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987678 C[C@@H]1N=C(O[C@@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCNS(C)(=O)=O)NC1CCCCC1 InChI=1S/C33H48N6O5S2/c1-24-30(25-12-5-3-6-13-25)44-33(36-24)38-19-20-39(29(23-38)31(40)34-22-27-16-11-21-45-27)32(41)28(37-26-14-7-4-8-15-26)17-9-10-18-35-46(2,42)43/h3,5-6,11-13,16,21,24,26,28-30,35,37H,4,7-10,14-15,17-20,22-23H2,1-2H3,(H,34,40)/t24-,28+,29-,30-/m0/s1 RMSRFWDFAHAENX-XPSCAIQQSA-N 476496 (2S)-1-[N2-cyclohexyl-N6- (methylsulfonyl)-D-lysyl]-4-[(4S,5R)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 152 Coagulation factor XII 34.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476496&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257619 442076543 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987679 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)C2=NC(C)(C)[C@@H](O2)c2ccccc2)ccc1CN InChI=1S/C35H53N7O4/c1-35(2)31(26-13-9-8-10-14-26)46-34(38-35)41-19-20-42(33(44)28(40(5)6)15-11-12-18-39(3)4)29(24-41)32(43)37-23-25-16-17-27(22-36)30(21-25)45-7/h8-10,13-14,16-17,21,28-29,31H,11-12,15,18-20,22-24,36H2,1-7H3,(H,37,43)/t28-,29+,31+/m1/s1 IFPLTJKCLHXPQH-HZFRXHCASA-N 476497 (2S)-N-[4-(aminomethyl)-3- methoxybenzyl]-4-[(5S)-4,4-dimethyl- 5-phenyl-4,5-dihydro-1,3-oxazol-2- yl]-1-(N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 153 Coagulation factor XII 7.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476497&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257563 442076544 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987680 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)C2=NC(C)(C)[C@@H](O2)c2ccccc2)ccc1C(N)=O InChI=1S/C35H51N7O5/c1-35(2)30(25-13-9-8-10-14-25)47-34(38-35)41-19-20-42(33(45)27(40(5)6)15-11-12-18-39(3)4)28(23-41)32(44)37-22-24-16-17-26(31(36)43)29(21-24)46-7/h8-10,13-14,16-17,21,27-28,30H,11-12,15,18-20,22-23H2,1-7H3,(H2,36,43)(H,37,44)/t27-,28+,30+/m1/s1 HKAFUESXBNGGDS-UNRZKBSHSA-N 476498 (2S)-N-(4-carbamoyl-3- methoxybenzyl)-4-[(5S)-4,4-dimethyl- 5-phenyl-4,5-dihydro-1,3-oxazol-2- yl]-1-(N2,N2,N6,N6-tetramethyl-D- lysyl)piperazine-2-carboxamide::US10875851, Example 154 Coagulation factor XII 12.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476498&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257545 442076545 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987681 CN(C)CCCC[C@@H](N(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(cc1)C(N)=O)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C34H49N7O4/c1-34(2)29(25-12-8-7-9-13-25)45-33(37-34)40-20-21-41(32(44)27(39(5)6)14-10-11-19-38(3)4)28(23-40)31(43)36-22-24-15-17-26(18-16-24)30(35)42/h7-9,12-13,15-18,27-29H,10-11,14,19-23H2,1-6H3,(H2,35,42)(H,36,43)/t27-,28+,29?/m1/s1 PDPOKPHRLHZAEA-PEIRWHMSSA-N 476499 (2S)-N-(4-carbamoylbenzyl)-4-(4,4- dimethyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl)-1-(N2,N2,N6,N6- tetramethyl-D-lysyl)piperazine-2- carboxamide::US10875851, Example 155 Coagulation factor XII 53.6 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476499&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257432 442076546 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987682 CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C34H47ClN6O3/c1-34(2)30(26-13-5-3-6-14-26)44-33(38-34)40-20-21-41(29(24-40)31(42)37-23-25-12-11-15-27(35)22-25)32(43)28(36)16-7-10-19-39-17-8-4-9-18-39/h3,5-6,11-15,22,28-30H,4,7-10,16-21,23-24,36H2,1-2H3,(H,37,42)/t28-,29+,30?/m1/s1 CALSYGMYGLXIHX-RAVAVGQKSA-N 476500 (2S)-N-(3-chlorobenzyl)-4-(4,4- dimethyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl)-1-(6-piperidin-1-yl-D- norleucyl)piperazine-2-carboxamide::US10875851, Example 156 Coagulation factor XII 52.3 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476500&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257533 442076547 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987683 CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C35H47ClN10O3/c1-35(2)31(25-11-5-3-6-12-25)49-34(40-35)44-19-20-45(33(48)28(37)13-7-10-18-43-16-8-4-9-17-43)30(23-44)32(47)38-22-26-21-27(36)14-15-29(26)46-24-39-41-42-46/h3,5-6,11-12,14-15,21,24,28,30-31H,4,7-10,13,16-20,22-23,37H2,1-2H3,(H,38,47)/t28-,30+,31?/m1/s1 ORGYHXJSMFZHQZ-IBBQOIMNSA-N 476501 (2S)-N-[5-chloro-2-(1H-tetrazol-1- yl)benzyl]-4-(4,4-dimethyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl)-1-(6- piperidin-1-yl-D-norleucyl)piperazine- 2-carboxamide::US10875851, Example 157 Coagulation factor XII 54.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476501&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257491 442076548 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987684 CC1(C)N=C(OC1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C35H47N7O3S/c1-35(2)31(25-11-5-3-6-12-25)45-34(39-35)41-19-20-42(33(44)28(36)13-7-10-18-40-16-8-4-9-17-40)29(24-41)32(43)38-23-27-21-26-22-37-15-14-30(26)46-27/h3,5-6,11-12,14-15,21-22,28-29,31H,4,7-10,13,16-20,23-24,36H2,1-2H3,(H,38,43)/t28-,29+,31?/m1/s1 QGIGWAAZOLUCDL-TUPFJZFKSA-N 476502 (2S)-4-(4,4-dimethyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl)-1-(6- piperidin-1-yl-D-norleucyl)-N- (thieno[3,2-c]pyridin-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 158 Coagulation factor XII 54.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476502&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257410 442076549 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987685 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C38H53N7O3S/c1-27(2)41-31(15-9-12-20-43-18-10-6-11-19-43)36(47)45-22-21-44(37-42-38(3,4)34(48-37)28-13-7-5-8-14-28)26-32(45)35(46)40-25-30-23-29-24-39-17-16-33(29)49-30/h5,7-8,13-14,16-17,23-24,27,31-32,34,41H,6,9-12,15,18-22,25-26H2,1-4H3,(H,40,46)/t31-,32+,34?/m1/s1 VGTHTSFVLVBHFO-FYQPVZKXSA-N 476503 (2S)-4-(4,4-dimethyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl)-1-[N-(1- methylethyl)-6-piperidin-1-yl-D- norleucyl]-N-(thieno[3,2-c]pyridin-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 159 Coagulation factor XII 27.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476503&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257505 442076550 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987686 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=NC(C)(C)C(O1)c1ccccc1 InChI=1S/C37H53ClN6O3/c1-27(2)40-31(18-9-12-21-42-19-10-6-11-20-42)35(46)44-23-22-43(26-32(44)34(45)39-25-28-14-13-17-30(38)24-28)36-41-37(3,4)33(47-36)29-15-7-5-8-16-29/h5,7-8,13-17,24,27,31-33,40H,6,9-12,18-23,25-26H2,1-4H3,(H,39,45)/t31-,32+,33?/m1/s1 HLKRFJKTXMNNJU-WTAZONCXSA-N 476504 (2S)-N-(3-chlorobenzyl)-4-(4,4- dimethyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl)-1-[N-(1-methylethyl)-6- piperidin-1-yl-D-norleucyl]piperazine- 2-carboxamide::US10875851, Example 160 Coagulation factor XII 13.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476504&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257309 442076551 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987687 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C33H45ClN6O3/c1-24-30(26-12-4-2-5-13-26)43-33(37-24)39-19-20-40(29(23-39)31(41)36-22-25-11-10-14-27(34)21-25)32(42)28(35)15-6-9-18-38-16-7-3-8-17-38/h2,4-5,10-14,21,24,28-30H,3,6-9,15-20,22-23,35H2,1H3,(H,36,41)/t24-,28+,29-,30+/m0/s1 AXLHLBPBESHGQZ-NDMKBUGQSA-N 476505 (2S)-N-(3-chlorobenzyl)-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-1-(6-piperidin-1-yl-D- norleucyl)piperazine-2-carboxamide::US10875851, Example 161 Coagulation factor XII 22.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476505&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257466 442076552 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987688 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@H](N)CCCCN1CCCCC1 476506 (2S)-N-[(3-chloro-1H-indol-5- yl)methyl]-4-[(4S,5S)-4-methyl-5- phenyl-4,5-dihydro-1,3-oxazol-2-yl]- 1-(6-piperidin-1-yl-D- norleucyl)piperazine-2-carboxamide::US10875851, Example 162 Coagulation factor XII 8.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476506&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257402 442076553 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987689 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C34H45N7O3S/c1-24-31(25-10-4-2-5-11-25)44-34(38-24)40-18-19-41(33(43)28(35)12-6-9-17-39-15-7-3-8-16-39)29(23-40)32(42)37-22-27-20-26-21-36-14-13-30(26)45-27/h2,4-5,10-11,13-14,20-21,24,28-29,31H,3,6-9,12,15-19,22-23,35H2,1H3,(H,37,42)/t24-,28+,29-,31+/m0/s1 LSBYZXOOCPWNQL-IZJJXFGPSA-N 476507 (2S)-4-[(4S,5S)-4-methyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl]-1-(6- piperidin-1-yl-D-norleucyl)-N- (thieno[3,2-c]pyridin-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 163 Coagulation factor XII 15.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476507&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257318 442076554 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987690 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C31H44N6O3S/c1-23-28(24-11-4-2-5-12-24)40-31(34-23)36-18-19-37(27(22-36)29(38)33-21-25-13-10-20-41-25)30(39)26(32)14-6-9-17-35-15-7-3-8-16-35/h2,4-5,10-13,20,23,26-28H,3,6-9,14-19,21-22,32H2,1H3,(H,33,38)/t23-,26+,27-,28+/m0/s1 CCAUOIFBIYOTNI-NXKWUFEUSA-N 476508 (2S)-4-[(4S,5S)-4-methyl-5-phenyl- 4,5-dihydro-1,3-oxazol-2-yl]-1-(6- piperidin-1-yl-D-norleucyl)-N- (thiophen-2-ylmethyl)piperazine-2- carboxamide::US10875851, Example 164 Coagulation factor XII 22.8 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476508&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134522416 442076555 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987691 COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC2CCC(CN)CC2)C2=N[C@@H](C)[C@@H](O2)c2ccccc2)ccc1C(N)=O InChI=1S/C42H62N8O5/c1-29-38(32-11-5-3-6-12-32)55-42(46-29)49-23-24-50(36(28-49)40(52)45-27-31-16-19-34(39(44)51)37(25-31)54-2)41(53)35(47-33-17-14-30(26-43)15-18-33)13-7-10-22-48-20-8-4-9-21-48/h3,5-6,11-12,16,19,25,29-30,33,35-36,38,47H,4,7-10,13-15,17-18,20-24,26-28,43H2,1-2H3,(H2,44,51)(H,45,52)/t29-,30?,33?,35+,36-,38+/m0/s1 QSWXOAXBNXCNPG-GNLUFGTRSA-N 476509 (2S)-1-{N-[4- (aminomethyl)cyclohexyl]-6- piperidin-1-yl-D-norleucyl}-N-(4- carbamoyl-3-methoxybenzyl)-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 165 Coagulation factor XII 41.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476509&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257387 442076556 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987692 CC(C)NCCCC[C@@H](NC(C)C)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C34H49ClN6O3/c1-23(2)36-17-10-9-16-29(38-24(3)4)33(43)41-19-18-40(34-39-25(5)31(44-34)27-13-7-6-8-14-27)22-30(41)32(42)37-21-26-12-11-15-28(35)20-26/h6-8,11-15,20,23-25,29-31,36,38H,9-10,16-19,21-22H2,1-5H3,(H,37,42)/t25-,29+,30-,31+/m0/s1 MGCGQEXVRSPLLS-IQAPJIGKSA-N 476510 (2S)-1-[N2,N6-bis(1-methylethyl)-D- lysyl]-N-(3-chlorobenzyl)-4-[(4S,5S)- 4-methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]piperazine-2-carboxamide::US10875851, Example 166 Coagulation factor XII 6.80 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476510&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257550 442076557 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987693 C[C@@H]1N=C(O[C@H]1c1cccc(Br)c1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@H](N)CCCCN1CCCCC1 InChI=1S/C33H44BrClN6O3/c1-23-30(25-10-8-11-26(34)20-25)44-33(38-23)40-17-18-41(29(22-40)31(42)37-21-24-9-7-12-27(35)19-24)32(43)28(36)13-3-6-16-39-14-4-2-5-15-39/h7-12,19-20,23,28-30H,2-6,13-18,21-22,36H2,1H3,(H,37,42)/t23-,28+,29-,30+/m0/s1 ZQAMNKMYTWWUJJ-VQCLQPKNSA-N 476511 (2S)-4-[(4S,5S)-5-(3-bromophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- N-(3-chlorobenzyl)-1-(6-piperidin-1- yl-D-norleucyl)piperazine-2- carboxamide::US10875851, Example 167 Coagulation factor XII 36.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476511&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257616 442076558 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987694 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1cccc(Br)c1 InChI=1S/C36H50BrClN6O3/c1-25(2)40-31(15-5-8-18-42-16-6-4-7-17-42)35(46)44-20-19-43(24-32(44)34(45)39-23-27-11-9-14-30(38)21-27)36-41-26(3)33(47-36)28-12-10-13-29(37)22-28/h9-14,21-22,25-26,31-33,40H,4-8,15-20,23-24H2,1-3H3,(H,39,45)/t26-,31+,32-,33+/m0/s1 NVAOKSCZZPSUDX-NEVPTIFISA-N 476512 (2S)-4-[(4S,5S)-5-(3-bromophenyl)-4- methyl-4,5-dihydro-1,3-oxazol-2-yl]- N-(3-chlorobenzyl)-1-[N-(1- methylethyl)-6-piperidin-1-yl-D- norleucyl]piperazine-2-carboxamide::US10875851, Example 168 Coagulation factor XII 8.20 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476512&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257453 442076559 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987695 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=NC(C)[C@@H](O1)c1cccc(c1)C#N InChI=1S/C35H49N7O3S/c1-25(2)38-30(14-5-8-17-40-15-6-4-7-16-40)34(44)42-19-18-41(24-31(42)33(43)37-23-29-13-10-20-46-29)35-39-26(3)32(45-35)28-12-9-11-27(21-28)22-36/h9-13,20-21,25-26,30-32,38H,4-8,14-19,23-24H2,1-3H3,(H,37,43)/t26?,30-,31+,32-/m1/s1 OHVVSLPDQINFJE-IECJBTIBSA-N 476513 (2S)-4[5-(3-cyanophenyl)-4-methyl- 4,5-dihydro-1,3-oxazol-2-yl]-1-[N-(1- methylethyl)-6-piperidin-1-yl-D- norleucyl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 169 Coagulation factor XII 12.5 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476513&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263860 442076560 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987696 CCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C37H53ClN6O3/c1-4-27(2)40-32(18-9-12-21-42-19-10-6-11-20-42)36(46)44-23-22-43(37-41-28(3)34(47-37)30-15-7-5-8-16-30)26-33(44)35(45)39-25-29-14-13-17-31(38)24-29/h5,7-8,13-17,24,27-28,32-34,40H,4,6,9-12,18-23,25-26H2,1-3H3,(H,39,45)/t27?,28-,32+,33-,34+/m0/s1 IVBJOTSSTWRPGC-RBFXMOMQSA-N 476514 (2S)-N-(3-chlorobenzyl)-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-1-{N-[(1R)-1- methylpropyl]-6-piperidin-1-yl-D- norleucyl}piperazine-2-carboxamide::US10875851, Example 170 Coagulation factor XII 2.50 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476514&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146263684 442076561 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987697 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 476515 (2S)-N-[(3-chloro-1H-indol-5- yl)methyl]-1-[N-(1-methylethyl)-6- piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 171 Coagulation factor XII 0.500 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476515&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257415 442076562 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987698 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 476516 (2S)-1-{N-[4- (aminomethyl)cyclohexyl]-6- piperidin-1-yl-D-norleucyl}-N-[(3- chloro-1H-indol-5-yl)methyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 172 Coagulation factor XII 0.600 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476516&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257378 442076563 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987699 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc2cnccc2s1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C37H51N7O3S/c1-26(2)40-31(14-8-11-19-42-17-9-5-10-18-42)36(46)44-21-20-43(37-41-27(3)34(47-37)28-12-6-4-7-13-28)25-32(44)35(45)39-24-30-22-29-23-38-16-15-33(29)48-30/h4,6-7,12-13,15-16,22-23,26-27,31-32,34,40H,5,8-11,14,17-21,24-25H2,1-3H3,(H,39,45)/t27-,31+,32-,34+/m0/s1 BZLJCIDLKRVGKU-KZJZXYEKSA-N 476517 (2S)-1-[N-(1-methylethyl)-6-piperidin- 1-yl-D-norleucyl]-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-N-(thieno[3,2-c]pyridin- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 173 Coagulation factor XII 3.90 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476517&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257326 442076564 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987700 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cc2cnccc2s1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 InChI=1S/C41H58N8O3S/c1-29-38(31-10-4-2-5-11-31)52-41(45-29)48-22-23-49(36(28-48)39(50)44-27-34-24-32-26-43-18-17-37(32)53-34)40(51)35(46-33-15-13-30(25-42)14-16-33)12-6-9-21-47-19-7-3-8-20-47/h2,4-5,10-11,17-18,24,26,29-30,33,35-36,38,46H,3,6-9,12-16,19-23,25,27-28,42H2,1H3,(H,44,50)/t29-,30?,33?,35+,36-,38+/m0/s1 DQJSNRWXRWDWQC-GNLUFGTRSA-N 476518 (2S)-1-{N-[4- (aminomethyl)cyclohexyl]-6- piperidin-1-yl-D-norleucyl}-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N- (thieno[3,2-c]pyridin-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 174 Coagulation factor XII 3.00 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476518&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257436 442076565 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987701 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C36H51ClN6O3/c1-26(2)39-31(17-8-11-20-41-18-9-5-10-19-41)35(45)43-22-21-42(36-40-27(3)33(46-36)29-14-6-4-7-15-29)25-32(43)34(44)38-24-28-13-12-16-30(37)23-28/h4,6-7,12-16,23,26-27,31-33,39H,5,8-11,17-22,24-25H2,1-3H3,(H,38,44)/t27-,31+,32-,33+/m0/s1 JDMGVKMELSKODE-NGYBCATJSA-N 476519 (2S)-N-(3-chlorobenzyl)-1-[N-(1- methylethyl)-6-piperidin-1-yl-D- norleucyl]-4-[(4S,5S)-4-methyl-5- phenyl-4,5-dihydro-1,3-oxazol-2- yl]piperazine-2-carboxamide::US10875851, Example 175 Coagulation factor XII 6.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476519&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257463 442076566 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987702 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 InChI=1S/C40H58ClN7O3/c1-29-37(32-12-4-2-5-13-32)51-40(44-29)47-23-24-48(36(28-47)38(49)43-27-31-11-10-14-33(41)25-31)39(50)35(45-34-18-16-30(26-42)17-19-34)15-6-9-22-46-20-7-3-8-21-46/h2,4-5,10-14,25,29-30,34-37,45H,3,6-9,15-24,26-28,42H2,1H3,(H,43,49)/t29-,30?,34?,35+,36-,37+/m0/s1 NSPVUBAPBGIEMV-AWAWBMGQSA-N 476520 (2S)-1-{N-[4- (aminomethyl)cyclohexyl]-6- piperidin-1-yl-D-norleucyl}-N-(3- chlorobenzyl)-4-[(4S,5S)-4-methyl-5- phenyl-4,5-dihydro-1,3-oxazol-2- yl]piperazine-2-carboxamide::US10875851, Example 176 Coagulation factor XII 29.0 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476520&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257395 442076567 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987703 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1ccc(s1)C(N)=O)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCC(CN)CC1 InChI=1S/C39H58N8O4S/c1-27-35(29-10-4-2-5-11-29)51-39(43-27)46-22-23-47(33(26-46)37(49)42-25-31-17-18-34(52-31)36(41)48)38(50)32(44-30-15-13-28(24-40)14-16-30)12-6-9-21-45-19-7-3-8-20-45/h2,4-5,10-11,17-18,27-28,30,32-33,35,44H,3,6-9,12-16,19-26,40H2,1H3,(H2,41,48)(H,42,49)/t27-,28?,30?,32+,33-,35+/m0/s1 RUBFNAJTZIWJLV-MENHFZJGSA-N 476521 (2S)-1-{N-[4- (aminomethyl)cyclohexyl]-6- piperidin-1-yl-D-norleucyl}-N-[(5- carbamoylthiophen-2-yl)methyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 177 Coagulation factor XII 27.9 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476521&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257482 442076568 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987704 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C35H53N7O3S/c1-25(2)38-30(14-8-11-17-40-15-9-5-10-16-40)34(44)42-19-18-41(35-39-26(3)32(45-35)28-12-6-4-7-13-28)23-31(42)33(43)37-22-29-20-27(21-36)24-46-29/h4,6-7,12-13,20,24-26,30-32,38H,5,8-11,14-19,21-23,36H2,1-3H3,(H,37,43)/t26-,30+,31-,32+/m0/s1 ZIKVBJJWZLYUKX-ONSVQELQSA-N 476522 (2S)-N-{[4-(aminomethyl)thiophen-2- yl]methyl}-1-[N-(1-methylethyl)-6- piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 178 Coagulation factor XII 4.60 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476522&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257614 442076569 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987705 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C37H54ClN7O3/c1-26(2)41-32(14-8-11-19-43-17-9-5-10-18-43)36(47)45-21-20-44(37-42-27(3)34(48-37)29-12-6-4-7-13-29)25-33(45)35(46)40-24-28-15-16-30(23-39)31(38)22-28/h4,6-7,12-13,15-16,22,26-27,32-34,41H,5,8-11,14,17-21,23-25,39H2,1-3H3,(H,40,46)/t27-,32+,33-,34+/m0/s1 VKXPQMNAPRQLQO-BJHVCKBZSA-N 476523 (2S)-N-[4-(aminomethyl)-3- chlorobenzyl]-1-[N-(1-methylethyl)-6- piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 179 Coagulation factor XII 1.70 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476523&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257373 442076570 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987706 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1ccc(CN)cc1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C37H55N7O3/c1-27(2)40-32(14-8-11-21-42-19-9-5-10-20-42)36(46)44-23-22-43(37-41-28(3)34(47-37)31-12-6-4-7-13-31)26-33(44)35(45)39-25-30-17-15-29(24-38)16-18-30/h4,6-7,12-13,15-18,27-28,32-34,40H,5,8-11,14,19-26,38H2,1-3H3,(H,39,45)/t28-,32+,33-,34+/m0/s1 QZRMKHLTSVTEGO-UCFUBWGGSA-N 476524 (2S)-N-[4-(aminomethyl)benzyl]-1- [N-(1-methylethyl)-6-piperidin-1-yl- D-norleucyl]-4-[(4S,5S)-4-methyl-5- phenyl-4,5-dihydro-1,3-oxazol-2- yl]piperazine-2-carboxamide::US10875851, Example 180 Coagulation factor XII 47.1 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476524&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257376 442076571 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987707 CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(F)c(CN)c(F)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 InChI=1S/C37H53F2N7O3/c1-25(2)42-32(14-8-11-17-44-15-9-5-10-16-44)36(48)46-19-18-45(37-43-26(3)34(49-37)28-12-6-4-7-13-28)24-33(46)35(47)41-23-27-20-30(38)29(22-40)31(39)21-27/h4,6-7,12-13,20-21,25-26,32-34,42H,5,8-11,14-19,22-24,40H2,1-3H3,(H,41,47)/t26-,32+,33-,34+/m0/s1 QRQWUSMHMKJUPZ-KIORWJHZSA-N 476525 (2S)-N-[4-(aminomethyl)-3,5- difluorobenzyl]-1-[N-(1-methylethyl)- 6-piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 181 Coagulation factor XII 44.4 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476525&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257452 442076572 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987708 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCC(CC1)C(N)=O)NC1CCC(CC1)C(N)=O InChI=1S/C42H60N8O5S/c1-27-37(29-6-3-2-4-7-29)55-42(46-27)49-21-22-50(36(26-49)40(53)45-25-34-8-5-23-56-34)41(54)35(47-32-13-9-30(10-14-32)38(43)51)24-28-17-19-48(20-18-28)33-15-11-31(12-16-33)39(44)52/h2-8,23,27-28,30-33,35-37,47H,9-22,24-26H2,1H3,(H2,43,51)(H2,44,52)(H,45,53)/t27-,30?,31?,32?,33?,35+,36-,37+/m0/s1 WTGQRTVTXOGYCB-ILXJSNCNSA-N 476526 (2S)-1-{N-(4-carbamoylcyclohexyl)-3- [1-(4-carbamoylcyclohexyl)piperidin- 4-yl]-D-alanyl}-4-[(4S,5S)-4-methyl- 5-phenyl-4,5-dihydro-1,3-oxazol-2- yl]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 182 Coagulation factor XII 34.2 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476526&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257587 442076573 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 987709 C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCCCC1)NC1CCCCC1 InChI=1S/C40H58N6O3S/c1-29-37(31-12-5-2-6-13-31)49-40(42-29)45-23-24-46(36(28-45)38(47)41-27-34-18-11-25-50-34)39(48)35(43-32-14-7-3-8-15-32)26-30-19-21-44(22-20-30)33-16-9-4-10-17-33/h2,5-6,11-13,18,25,29-30,32-33,35-37,43H,3-4,7-10,14-17,19-24,26-28H2,1H3,(H,41,47)/t29-,35+,36-,37+/m0/s1 MZZSMZKJVSVWTK-GTPNLVIDSA-N 476527 (2S)-[N-cyclohexyl-3-(1- cyclohexylpiperidin-4-yl)-D-alanyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 183 Coagulation factor XII 2.40 US Patent 10.7270/Q2JD50W8 aid1805119 US10875851 Rao, AU; McKittrick, BA; Lombardo, M; Hicks, JD; Bittner McCracken, A; Chu, HD; So, S; Orth, P; Wu, Z; Lan, P; Debenham, JS; Whitehead, BR; Taylor, JA; Sun, Z; Katipally, RR; Gable, JE; Dahlgren, MK; Bhat, SP MERCK SHARP & DOHME CORP. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=476527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=476527&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146257514 442076574 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51338078 COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1 AXXYATYQRMPQSN-QUGAMOGWSA-N 50541586 CHEMBL4638245 Coagulation factor XII 1300 ChEMBL 10.1021/acs.jmedchem.0c00464 10.7270/Q2J67MHG 32456431 Yang, W; Wang, Y; Lai, A; Clark, CG; Corte, JR; Fang, T; Gilligan, PJ; Jeon, Y; Pabbisetty, KB; Rampulla, RA; Mathur, A; Kaspady, M; Neithnadka, PR; Arumugam, A; Raju, S; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Chacko, SA; Bozarth, JM; Wu, Y; Crain, EJ; Wong, PC; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Bristol Myers Squibb Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50541586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50541586&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search SWP 6W50 72792438 442143149 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343240 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C27H39N5O3/c1-3-17(2)24(31-20-7-5-4-6-8-20)27(35)32-16-21(33)14-23(32)26(34)30-15-18-9-10-22-19(13-18)11-12-29-25(22)28/h9-13,17,20-21,23-24,31,33H,3-8,14-16H2,1-2H3,(H2,28,29)(H,30,34)/t17-,21+,23+,24-/m1/s1 UHZMCBKFZIOFLI-DVNJHFJZSA-N 50543714 CHEMBL4640835 Coagulation factor XII 341 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543714&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156014804 442145277 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343241 CC[C@@H](C)[C@@H](NC1CCC(F)(F)CC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C29H41F2N5O3/c1-4-18(3)24(35-21-8-11-29(30,31)12-9-21)27(38)36-17-28(39,5-2)15-23(36)26(37)34-16-19-6-7-22-20(14-19)10-13-33-25(22)32/h6-7,10,13-14,18,21,23-24,35,39H,4-5,8-9,11-12,15-17H2,1-3H3,(H2,32,33)(H,34,37)/t18-,23+,24-,28+/m1/s1 QOUOKEVURQGALZ-SSFMOWBYSA-N 50543715 CHEMBL4647326 Coagulation factor XII >10000 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543715&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156020275 442145278 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343242 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N InChI=1S/C29H40N6O2/c1-4-19(2)25(34-22-8-6-5-7-9-22)28(37)35-18-29(3,17-30)15-24(35)27(36)33-16-20-10-11-23-21(14-20)12-13-32-26(23)31/h10-14,19,22,24-25,34H,4-9,15-16,18H2,1-3H3,(H2,31,32)(H,33,36)/t19-,24+,25-,29-/m1/s1 VJLLQKAIQIIVTI-PXDJYKHMSA-N 50543716 CHEMBL4635919 Coagulation factor XII 7295 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543716&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156014299 442145279 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343243 CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N InChI=1S/C30H35ClN6O4S/c1-4-19(2)26(36-42(40,41)16-20-5-8-23(31)9-6-20)29(39)37-18-30(3,17-32)14-25(37)28(38)35-15-21-7-10-24-22(13-21)11-12-34-27(24)33/h5-13,19,25-26,36H,4,14-16,18H2,1-3H3,(H2,33,34)(H,35,38)/t19-,25+,26-,30-/m1/s1 WZWDXJZFTSMMQW-FDNCUVSZSA-N 50543717 CHEMBL4639651 Coagulation factor XII >20000 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156013511 442145280 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343244 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C29H43N5O3/c1-4-19(3)25(33-22-9-7-6-8-10-22)28(36)34-18-29(37,5-2)16-24(34)27(35)32-17-20-11-12-23-21(15-20)13-14-31-26(23)30/h11-15,19,22,24-25,33,37H,4-10,16-18H2,1-3H3,(H2,30,31)(H,32,35)/t19-,24+,25-,29+/m1/s1 ZCDZQESCUOZOOO-SVGVZATMSA-N 50543718 CHEMBL4634303 Coagulation factor XII 426 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543718&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156009931 442145281 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343245 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C28H41N5O3/c1-4-18(2)24(32-21-8-6-5-7-9-21)27(35)33-17-28(3,36)15-23(33)26(34)31-16-19-10-11-22-20(14-19)12-13-30-25(22)29/h10-14,18,21,23-24,32,36H,4-9,15-17H2,1-3H3,(H2,29,30)(H,31,34)/t18-,23+,24-,28+/m1/s1 HUOMJWOJQZRJRS-SSFMOWBYSA-N 50543719 CHEMBL4646710 Coagulation factor XII 241 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543719&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156020987 442145282 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343246 CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C29H36ClN5O5S/c1-4-18(2)25(34-41(39,40)16-19-5-8-22(30)9-6-19)28(37)35-17-29(3,38)14-24(35)27(36)33-15-20-7-10-23-21(13-20)11-12-32-26(23)31/h5-13,18,24-25,34,38H,4,14-17H2,1-3H3,(H2,31,32)(H,33,36)/t18-,24+,25-,29+/m1/s1 UCIVAANSXWYOFX-WMHYTQGESA-N 50543720 CHEMBL4646911 Coagulation factor XII >30000 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543720&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156021667 442145283 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343247 CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C30H36F3N5O5S/c1-4-18(2)25(37-44(42,43)16-19-5-8-22(9-6-19)30(31,32)33)28(40)38-17-29(3,41)14-24(38)27(39)36-15-20-7-10-23-21(13-20)11-12-35-26(23)34/h5-13,18,24-25,37,41H,4,14-17H2,1-3H3,(H2,34,35)(H,36,39)/t18-,24+,25-,29+/m1/s1 UUBCXVFAAIQXFP-WMHYTQGESA-N 50543721 CHEMBL4635580 Coagulation factor XII >30000 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543721&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156014641 442145284 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51343248 CC[C@@H](C)[C@@H](NC(C)C(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 InChI=1S/C25H35F2N5O3/c1-5-14(2)20(31-15(3)21(26)27)24(34)32-13-25(4,35)11-19(32)23(33)30-12-16-6-7-18-17(10-16)8-9-29-22(18)28/h6-10,14-15,19-21,31,35H,5,11-13H2,1-4H3,(H2,28,29)(H,30,33)/t14-,15?,19+,20-,25+/m1/s1 OSRSLXKXTGQYBB-RQGJNHQESA-N 50543722 CHEMBL4641777 Coagulation factor XII >10000 ChEMBL 10.1016/j.bmcl.2020.127072 10.7270/Q20P13M6 32340773 Hussain, Z; Cooke, AJ; Neelamkavil, S; Brown, L; Carswell, E; Geissler, WM; Guo, Z; Hawes, B; Kelly, TM; Kiyoi, Y; Lai, K; Lesburg, C; Pow, E; Zang, Y; Wood, HB; Edmondson, SD; Liu, W Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50543722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50543722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 156017006 442145285 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040035 Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 498893 (3S,4R)-N-[(3-chloro- 1H-indol-5-yl)methyl]- 1-(N,3-dicyclohexyl-D- alanyl)-4-{[(5-methyl- 1,3-thiazol-2- yl)carbonyl]amino}pi- peridine-3-carboxamide::US11014920, Compound 1 Coagulation factor XII 49.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498893&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 142354492 459071772 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040036 Cc1cnc(s1)C(=O)NC1CCN(CC1C(=O)NCc1ccc(CN)cc1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C34H50N6O3S/c1-23-20-37-33(44-23)32(42)39-29-16-17-40(22-28(29)31(41)36-21-26-14-12-25(19-35)13-15-26)34(43)30(18-24-8-4-2-5-9-24)38-27-10-6-3-7-11-27/h12-15,20,24,27-30,38H,2-11,16-19,21-22,35H2,1H3,(H,36,41)(H,39,42)/t28?,29?,30-/m1/s1 FYZWIKCIWPOXNX-QGVFFIPKSA-N 498894 N-[4- (aminomethyl)benzyl]- 1-(N,3-dicyclohexyl-D- alanyl)-4-{[(5-methyl- 1,3-thiazol-2- yl)carbonyl]amino}pi- peridine-3-carboxamide::US11014920, Compound 2 Coagulation factor XII 73.3 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498894&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623822 459071773 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040037 Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN)NC1CCCCC1 InChI=1S/C28H42N6O3S2/c1-19-16-31-27(39-19)26(36)33-23-12-14-34(18-22(23)25(35)30-17-21-10-7-15-38-21)28(37)24(11-5-6-13-29)32-20-8-3-2-4-9-20/h7,10,15-16,20,22-24,32H,2-6,8-9,11-14,17-18,29H2,1H3,(H,30,35)(H,33,36)/t22-,23+,24+/m0/s1 WCKNQCHPORNTNR-RBZQAINGSA-N 498895 (3S,4R)-1-(N~2~- cyclohexyl-D-lysyl)-4- {[(5-methyl-1,3-thiazol- 2-yl)carbonyl]amino}- N-(thiophen-2- ylmethyl)piperidine-3- carboxamide::US11014920, Compound 3 Coagulation factor XII 109 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498895&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623827 459071774 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040038 Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1ccnc(N)c1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C32H47N7O3S/c1-21-18-36-31(43-21)30(41)38-26-13-15-39(20-25(26)29(40)35-19-23-12-14-34-28(33)17-23)32(42)27(16-22-8-4-2-5-9-22)37-24-10-6-3-7-11-24/h12,14,17-18,22,24-27,37H,2-11,13,15-16,19-20H2,1H3,(H2,33,34)(H,35,40)(H,38,41)/t25-,26+,27+/m0/s1 KAANWQDHKDHCIJ-OYUWMTPXSA-N 498896 (3S,4R)-N-[(2- aminopyridin-4- yl)methyl]-1-(N,3- dicyclohexyl-D-alanyl)- 4-{[(5-methyl-1,3- thiazol-2- yl)carbonyl]amino}pi- peridine-3-carboxamide::US11014920, Compound 4 Coagulation factor XII 65.1 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498896&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623852 459071775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040039 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H48FN5O3S/c1-37(2)19-8-7-13-30(38(3)26-10-5-4-6-11-26)33(42)39-20-18-29(36-31(40)24-14-16-25(34)17-15-24)28(23-39)32(41)35-22-27-12-9-21-43-27/h9,12,14-17,21,26,28-30H,4-8,10-11,13,18-20,22-23H2,1-3H3,(H,35,41)(H,36,40)/t28-,29+,30+/m0/s1 ZDBTUCOXLMAXBH-FRXPANAUSA-N 498897 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-4- {[(3,4-difluoro- phenyl)carbonyl]amino}- N-(thiophen- 2-ylmethyl)piperidine- 3-carboxamide::US11014920, Compound 5::US11014920, Compound 6 Coagulation factor XII 71.6 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498897&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623849 459071776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040040 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H48FN5O3S/c1-37(2)19-8-7-13-30(38(3)26-10-5-4-6-11-26)33(42)39-20-18-29(36-31(40)24-14-16-25(34)17-15-24)28(23-39)32(41)35-22-27-12-9-21-43-27/h9,12,14-17,21,26,28-30H,4-8,10-11,13,18-20,22-23H2,1-3H3,(H,35,41)(H,36,40)/t28-,29+,30+/m0/s1 ZDBTUCOXLMAXBH-FRXPANAUSA-N 498897 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-4- {[(3,4-difluoro- phenyl)carbonyl]amino}- N-(thiophen- 2-ylmethyl)piperidine- 3-carboxamide::US11014920, Compound 5::US11014920, Compound 6 Coagulation factor XII 98.3 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498897&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623849 459071776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040041 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H47F2N5O3S/c1-38(2)17-8-7-13-30(39(3)24-10-5-4-6-11-24)33(43)40-18-16-29(37-32(42)26-15-14-23(34)20-28(26)35)27(22-40)31(41)36-21-25-12-9-19-44-25/h9,12,14-15,19-20,24,27,29-30H,4-8,10-11,13,16-18,21-22H2,1-3H3,(H,36,41)(H,37,42)/t27-,29+,30+/m0/s1 GAKCZUSURZASNH-GNSPLJBXSA-N 498899 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-4- {[(2,4-difluoro- phenyl)carbonyl]amino}- N-(thiophen- 2-ylmethyl)piperidine- 3-carboxamide::US11014920, Compound 7 Coagulation factor XII 18.7 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498899&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623855 459071777 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040042 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H49N5O3S/c1-36(2)20-11-10-18-30(37(3)26-15-8-5-9-16-26)33(41)38-21-19-29(35-31(39)25-13-6-4-7-14-25)28(24-38)32(40)34-23-27-17-12-22-42-27/h4,6-7,12-14,17,22,26,28-30H,5,8-11,15-16,18-21,23-24H2,1-3H3,(H,34,40)(H,35,39)/t28-,29+,30+/m0/s1 BLQYSCPOWWJGFF-FRXPANAUSA-N 498900 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-4- [(phenylcarbonyl)amino]- N-(thiophen-2- ylmethyl)piperidine-3- carboxamide::US11014920, Compound 8 Coagulation factor XII 60.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498900&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623842 459071778 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040043 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H48ClN5O3S/c1-37(2)19-8-7-13-30(38(3)26-10-5-4-6-11-26)33(42)39-20-18-29(36-31(40)24-14-16-25(34)17-15-24)28(23-39)32(41)35-22-27-12-9-21-43-27/h9,12,14-17,21,26,28-30H,4-8,10-11,13,18-20,22-23H2,1-3H3,(H,35,41)(H,36,40)/t28-,29+,30+/m0/s1 GHRXFMWFISZVRU-FRXPANAUSA-N 498901 (3S,4R)-4-{[(4-chloro- phenyl)carbonyl]amino}- 1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-N- (thiophen-2- ylmethyl)piperidine-3- carboxamide::US11014920, Compound 9 Coagulation factor XII 11.5 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498901&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623831 459071779 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040044 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H46F3N5O3S/c1-39(2)15-8-7-13-30(40(3)22-10-5-4-6-11-22)33(44)41-16-14-29(25(21-41)31(42)37-20-23-12-9-17-45-23)38-32(43)24-18-27(35)28(36)19-26(24)34/h9,12,17-19,22,25,29-30H,4-8,10-11,13-16,20-21H2,1-3H3,(H,37,42)(H,38,43)/t25-,29+,30+/m0/s1 HNBXDMUUHAMVQP-AWJLRTIGSA-N 498902 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-N- (thiophen-2-ylmethyl)- 4-{[(2,4,5-trifluoro- phenyl)carbonyl]amino}pi- peridine-3-carboxamide::US11014920, Compound 10 Coagulation factor XII 29.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498902&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623832 459071780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040045 NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C31H50N6O3S/c32-16-5-4-10-27(34-23-7-2-1-3-8-23)29(39)37-17-11-26(25(22-37)28(38)33-21-24-9-6-20-41-24)35-30(40)36-18-14-31(12-13-31)15-19-36/h6,9,20,23,25-27,34H,1-5,7-8,10-19,21-22,32H2,(H,33,38)(H,35,40)/t25-,26+,27+/m0/s1 ZCKMEKYKOHTVDW-OYUWMTPXSA-N 498903 N-{(3S,4R)-1-(N~2~- cyclohexyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 11 Coagulation factor XII 71.6 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498903&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134524393 459071781 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040046 NCc1ccc(CNC(=O)[C@H]2CN(CC[C@H]2NC(=O)N2CCC3(CC3)CC2)C(=O)[C@@H](CC2CC2)NC2CCCCC2)cc1 InChI=1S/C34H52N6O3/c35-21-25-8-10-26(11-9-25)22-36-31(41)28-23-40(32(42)30(20-24-6-7-24)37-27-4-2-1-3-5-27)17-12-29(28)38-33(43)39-18-15-34(13-14-34)16-19-39/h8-11,24,27-30,37H,1-7,12-23,35H2,(H,36,41)(H,38,43)/t28-,29+,30+/m0/s1 JBOFOKYBEJQHDU-FRXPANAUSA-N 498904 N-[(3S,4R)-3-{[4-(amino- methyl)benzyl]carbamoyl}- 1-(N-cyclohexyl-3- cyclopropyl-D- alanyl)piperidin-4-yl]- 6-azaspiro[2.5]octane- 6-carboxamide::US11014920, Compound 12 Coagulation factor XII 41.7 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498904&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623826 459071782 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040047 NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccccc1 InChI=1S/C33H52N6O3/c34-19-8-7-13-29(36-26-11-5-2-6-12-26)31(41)39-20-14-28(37-32(42)38-21-17-33(15-16-33)18-22-38)27(24-39)30(40)35-23-25-9-3-1-4-10-25/h1,3-4,9-10,26-29,36H,2,5-8,11-24,34H2,(H,35,40)(H,37,42)/t27-,28+,29+/m0/s1 VLFDUVVWTPIZNF-ZGIBFIJWSA-N 498905 N-[(3S,4R)-3- (benzylcarbamoyl)-1- (N~2~-cyclohexyl-D- lysyl)piperidin-4-yl]-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 13 Coagulation factor XII 98.3 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498905&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623851 459071783 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040048 NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccc(CN)cc1 InChI=1S/C34H55N7O3/c35-18-5-4-8-30(38-27-6-2-1-3-7-27)32(43)41-19-13-29(39-33(44)40-20-16-34(14-15-34)17-21-40)28(24-41)31(42)37-23-26-11-9-25(22-36)10-12-26/h9-12,27-30,38H,1-8,13-24,35-36H2,(H,37,42)(H,39,44)/t28-,29+,30+/m0/s1 VGKPQLMMXCSUQB-FRXPANAUSA-N 498906 N-[(3S,4R)-3-{[4-(amino- methyl)benzyl]carbamoyl}- 1-(N~2~-cyclohexyl-D- lysyl)piperidin-4-yl]-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 14 Coagulation factor XII 18.7 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498906&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623825 459071784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040049 Cc1csc(CNC(=O)[C@H]2CN(CC[C@H]2NC(=O)N2CCC3(CC3)CC2)C(=O)[C@@H](CCCCN)NC2CCCCC2)c1 InChI=1S/C32H52N6O3S/c1-23-19-25(42-22-23)20-34-29(39)26-21-38(30(40)28(9-5-6-15-33)35-24-7-3-2-4-8-24)16-10-27(26)36-31(41)37-17-13-32(11-12-32)14-18-37/h19,22,24,26-28,35H,2-18,20-21,33H2,1H3,(H,34,39)(H,36,41)/t26-,27+,28+/m0/s1 ZKOVXVYVYTWPFS-UPRLRBBYSA-N 498907 N-[(3S,4R)-1-(N~2~- cyclohexyl-D-lysyl)-3- {[(4-methylthiophen-2- yl)methyl]carbamoyl}pi- peridin-4-yl]-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 15 Coagulation factor XII 60.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498907&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623828 459071785 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040050 O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)C(CC1CCNCC1)NC1CCCCC1 InChI=1S/C33H52N6O3S/c40-30(35-22-26-7-4-20-43-26)27-23-39(17-10-28(27)37-32(42)38-18-13-33(11-12-33)14-19-38)31(41)29(21-24-8-15-34-16-9-24)36-25-5-2-1-3-6-25/h4,7,20,24-25,27-29,34,36H,1-3,5-6,8-19,21-23H2,(H,35,40)(H,37,42)/t27-,28+,29?/m0/s1 JWJVRUOXORSRHO-POZJPKTBSA-N 498908 N-{(3S,4R)-1-(N- cyclohexyl-3-piperidin- 4-ylalanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxarnide::US11014920, Compound 16 Coagulation factor XII 82.9 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498908&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623853 459071786 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040051 O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1 InChI=1S/C34H54N6O5S2/c41-31(35-24-27-10-6-22-46-27)28-25-39(19-12-29(28)37-33(43)38-20-15-34(13-14-34)16-21-38)32(42)30(36-26-8-2-1-3-9-26)11-4-5-17-40-18-7-23-47(40,44)45/h6,10,22,26,28-30,36H,1-5,7-9,11-21,23-25H2,(H,35,41)(H,37,43)/t28-,29+,30+/m0/s1 FYJJZXQUGYVBMR-FRXPANAUSA-N 498909 N-{(3S,4R)-1-[N- cyclohexyl-6-(1,1- dioxidoisothiazolidin-2- yl)-D-norleucyl]-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 17 Coagulation factor XII 11.5 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498909&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623830 459071787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040052 CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C42H63N7O5S2/c1-56(53,54)44-22-6-5-11-37(45-33-12-15-42(16-13-33)19-24-47(31-42)29-32-8-3-2-4-9-32)39(51)49-23-14-36(35(30-49)38(50)43-28-34-10-7-27-55-34)46-40(52)48-25-20-41(17-18-41)21-26-48/h2-4,7-10,27,33,35-37,44-45H,5-6,11-26,28-31H2,1H3,(H,43,50)(H,46,52)/t33?,35-,36+,37+,42?/m0/s1 DDIKLPJOHIRBAY-LIBHBZCFSA-N 498910 N-{(3S,4R)-1-[N~2~- (2-benzyl-2- azaspiro[4.5]dec-8-yl)- N~6~-(methylsulfonyl)- D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 18 Coagulation factor XII 29.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498910&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155064953 459071788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040053 O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CCCCNS(=O)(=O)C1CC1)NC1CCCCC1 InChI=1S/C34H54N6O5S2/c41-31(35-23-26-9-6-22-46-26)28-24-40(19-13-29(28)38-33(43)39-20-16-34(14-15-34)17-21-39)32(42)30(37-25-7-2-1-3-8-25)10-4-5-18-36-47(44,45)27-11-12-27/h6,9,22,25,27-30,36-37H,1-5,7-8,10-21,23-24H2,(H,35,41)(H,38,43)/t28-,29+,30+/m0/s1 FBFAHYVTXGECNC-FRXPANAUSA-N 498911 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- (cyclopropylsulfonyl)- D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 19 Coagulation factor XII 43.1 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498911&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155064952 459071789 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040054 O=C(NCc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCC2(CC2)CC1)C(=O)[C@@H](CC1CCNCC1)NC1CCCCC1 InChI=1S/C33H52N6O3S/c40-30(35-22-26-7-4-20-43-26)27-23-39(17-10-28(27)37-32(42)38-18-13-33(11-12-33)14-19-38)31(41)29(21-24-8-15-34-16-9-24)36-25-5-2-1-3-6-25/h4,7,20,24-25,27-29,34,36H,1-3,5-6,8-19,21-23H2,(H,35,40)(H,37,42)/t27-,28+,29+/m0/s1 JWJVRUOXORSRHO-ZGIBFIJWSA-N 498912 N-{(3S,4R)-1-(N- cyclohexyl-3-piperidin- 4-yl-D-alanyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 20 Coagulation factor XII 47.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498912&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623835 459071790 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040055 CCS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H54N6O5S2/c1-2-46(43,44)35-18-7-6-12-29(36-25-9-4-3-5-10-25)31(41)39-19-13-28(27(24-39)30(40)34-23-26-11-8-22-45-26)37-32(42)38-20-16-33(14-15-33)17-21-38/h8,11,22,25,27-29,35-36H,2-7,9-10,12-21,23-24H2,1H3,(H,34,40)(H,37,42)/t27-,28+,29+/m0/s1 XMMZGUSLLPSURC-ZGIBFIJWSA-N 498913 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- (ethylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 21 Coagulation factor XII 51.2 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498913&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155065006 459071791 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040056 FC(F)(F)CNCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H51F3N6O3S/c34-33(35,36)23-37-16-5-4-10-28(39-24-7-2-1-3-8-24)30(44)42-17-11-27(26(22-42)29(43)38-21-25-9-6-20-46-25)40-31(45)41-18-14-32(12-13-32)15-19-41/h6,9,20,24,26-28,37,39H,1-5,7-8,10-19,21-23H2,(H,38,43)(H,40,45)/t26-,27+,28+/m0/s1 IXEABJVJDSJTEA-UPRLRBBYSA-N 498914 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- (2,2,2-trifluoroethyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 22 Coagulation factor XII 46.5 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498914&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155064972 459071792 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040057 CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C32H52N6O5S2/c1-45(42,43)34-17-6-5-11-28(35-24-8-3-2-4-9-24)30(40)38-18-12-27(26(23-38)29(39)33-22-25-10-7-21-44-25)36-31(41)37-19-15-32(13-14-32)16-20-37/h7,10,21,24,26-28,34-35H,2-6,8-9,11-20,22-23H2,1H3,(H,33,39)(H,36,41)/t26-,27+,28+/m0/s1 UJRJULZVAFGLRZ-UPRLRBBYSA-N 498915 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- (methylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 23 Coagulation factor XII 52.4 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498915&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155064996 459071793 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040058 CC(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H52N6O4S/c1-24(40)34-17-6-5-11-29(36-25-8-3-2-4-9-25)31(42)39-18-12-28(27(23-39)30(41)35-22-26-10-7-21-44-26)37-32(43)38-19-15-33(13-14-33)16-20-38/h7,10,21,25,27-29,36H,2-6,8-9,11-20,22-23H2,1H3,(H,34,40)(H,35,41)(H,37,43)/t27-,28+,29+/m0/s1 TZZKNOHEAZAJNG-ZGIBFIJWSA-N 498916 N-{(3S,4R)-1-(N~6~- acetyl-N~2~- cyclohexyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 24 Coagulation factor XII 108 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498916&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155059094 459071794 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040059 C[N+](C)(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1ccccc1 InChI=1S/C36H58N6O3/c1-42(2,3)25-11-10-16-32(38-29-14-8-5-9-15-29)34(44)41-22-17-31(39-35(45)40-23-20-36(18-19-36)21-24-40)30(27-41)33(43)37-26-28-12-6-4-7-13-28/h4,6-7,12-13,29-32,38H,5,8-11,14-27H2,1-3H3,(H-,37,39,43,45)/p+1/t30-,31+,32+/m0/s1 NSNVDMYULRJRPK-DCMFLLSESA-O 498917 (5R)-6-[(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbonyl)amino]-3- (benzylcarbamoyl)pi- peridin-1-yl]-5- (cyclohexylamino)- N,N,N-trimethyl-6- oxohexan-1-aminium::US11014920, Compound 25 Coagulation factor XII 5.00 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498917&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623834 459071795 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040060 CC(=O)OCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H51N5O5S/c1-24(39)43-20-6-5-11-29(35-25-8-3-2-4-9-25)31(41)38-17-12-28(27(23-38)30(40)34-22-26-10-7-21-44-26)36-32(42)37-18-15-33(13-14-33)16-19-37/h7,10,21,25,27-29,35H,2-6,8-9,11-20,22-23H2,1H3,(H,34,40)(H,36,42)/t27-,28+,29+/m0/s1 JSBBHFZJVAUMTR-ZGIBFIJWSA-N 498918 (5R)-6-{(3S,4R)-4-[(6- azaspiro[2.5]oct-6- ylcarbonyl)amino]-3- [(thiophen-2- ylmethy)carbamoyl]pi- peridin-1-yl}-5- (cyclohexylamino)-6- oxohexyl acetate::US11014920, Compound 26 Coagulation factor XII 65.9 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498918&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623845 459071796 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040061 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc23)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C36H54N6O3S/c1-39(2)21-10-9-19-33(40(3)28-15-5-4-6-16-28)35(44)41-23-20-31(30(26-41)34(43)37-25-29-17-12-24-46-29)38-36(45)42-22-11-14-27-13-7-8-18-32(27)42/h7-8,12-13,17-18,24,28,30-31,33H,4-6,9-11,14-16,19-23,25-26H2,1-3H3,(H,37,43)(H,38,45)/t30-,31+,33+/m0/s1 RBGGCLKRMPIDMY-RKKDRKJOSA-N 498919 N-{(3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-3,4- dihydroquinoline- 1(2H)-carboxamide::US11014920, Compound 27 Coagulation factor XII 110 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498919&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623821 459071797 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040062 CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc23)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C35H52N6O3S/c1-39(2)20-9-8-17-31(37-27-14-4-3-5-15-27)34(43)40-22-19-30(29(25-40)33(42)36-24-28-16-11-23-45-28)38-35(44)41-21-10-13-26-12-6-7-18-32(26)41/h6-7,11-12,16,18,23,27,29-31,37H,3-5,8-10,13-15,17,19-22,24-25H2,1-2H3,(H,36,42)(H,38,44)/t29-,30+,31+/m0/s1 PITDSKUPZOPKOD-OJDZSJEKSA-N 498920 N-{(3S,4R)-1-(N~2~- cyclohexyl- N~6~,N~6~-dimethyl- D-lysyl)-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-3,4- dihydroquinoline- 1(2H)-carboxamide::US11014920, Compound 28 Coagulation factor XII 102 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498920&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623848 459071798 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040063 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C34H50FN5O3S/c1-24-15-16-27(29(35)21-24)33(42)37-30-17-19-40(23-28(30)32(41)36-22-26-13-10-20-44-26)34(43)31(14-8-9-18-38(2)3)39(4)25-11-6-5-7-12-25/h10,13,15-16,20-21,25,28,30-31H,5-9,11-12,14,17-19,22-23H2,1-4H3,(H,36,41)(H,37,42)/t28-,30+,31+/m0/s1 JAUJECFQKYOHTH-FAOMPSFFSA-N 498921 (3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-4- {[(2-fluoro-4-methyl- phenyl)carbonyl]amino}- N-(thiophen-2- ylmethyl)piperidine-3- carboxamide::US11014920, Compound 29 Coagulation factor XII 37.6 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498921&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623833 459071799 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040064 CN([C@H](CCCCNS(C)(=O)=O)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)C1CCCCC1 InChI=1S/C33H54N6O5S2/c1-37(25-9-4-3-5-10-25)29(12-6-7-18-35-46(2,43)44)31(41)39-19-13-28(27(24-39)30(40)34-23-26-11-8-22-45-26)36-32(42)38-20-16-33(14-15-33)17-21-38/h8,11,22,25,27-29,35H,3-7,9-10,12-21,23-24H2,1-2H3,(H,34,40)(H,36,42)/t27-,28+,29+/m0/s1 CBJKTQXOAUCHDS-ZGIBFIJWSA-N 498922 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~2~- methyl-N~6~- (methylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 30 Coagulation factor XII 50.1 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498922&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155064985 459071800 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040065 CN(C)CCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C43H65N7O3S/c1-47(2)23-7-6-12-38(45-34-13-16-43(17-14-34)20-25-48(32-43)30-33-9-4-3-5-10-33)40(52)50-24-15-37(36(31-50)39(51)44-29-35-11-8-28-54-35)46-41(53)49-26-21-42(18-19-42)22-27-49/h3-5,8-11,28,34,36-38,45H,6-7,12-27,29-32H2,1-2H3,(H,44,51)(H,46,53)/t34?,36-,37+,38+,43?/m0/s1 IJHRCVLLCXBNKC-AUFGFFTNSA-N 498923 N-{(3S,4R)-1-[N~2~- (2-benzyl-2- azaspiro[4.5]dec-8-yl)- N~6~,N~6~-dimethyl- D-lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 31 Coagulation factor XII 1.50 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498923&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623844 459071801 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040066 CN(CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)S(C)(=O)=O InChI=1S/C33H54N6O5S2/c1-37(46(2,43)44)18-7-6-12-29(35-25-9-4-3-5-10-25)31(41)39-19-13-28(27(24-39)30(40)34-23-26-11-8-22-45-26)36-32(42)38-20-16-33(14-15-33)17-21-38/h8,11,22,25,27-29,35H,3-7,9-10,12-21,23-24H2,1-2H3,(H,34,40)(H,36,42)/t27-,28+,29+/m0/s1 FXYOMAYKWCZNPH-ZGIBFIJWSA-N 498924 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- methyl-N~6~- (methylsulfonyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 32 Coagulation factor XII 22.5 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498924&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623850 459071802 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040067 CN(C)CCCC[C@@H](N(C)C1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C34H56N6O3S/c1-37(2)19-8-7-13-30(38(3)26-10-5-4-6-11-26)32(42)40-20-14-29(28(25-40)31(41)35-24-27-12-9-23-44-27)36-33(43)39-21-17-34(15-16-34)18-22-39/h9,12,23,26,28-30H,4-8,10-11,13-22,24-25H2,1-3H3,(H,35,41)(H,36,43)/t28-,29+,30+/m0/s1 SHNPTOPUNIOIIA-FRXPANAUSA-N 498925 N-{(3S,4R)-1-(N~2~- cyclohexyl- N~2~,N~6~,N~6~- trimethyl-D-lysyl)-3- [(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 33 Coagulation factor XII 15.1 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498925&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623824 459071803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040068 CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1 InChI=1S/C33H54N6O3S/c1-37(2)18-7-6-12-29(35-25-9-4-3-5-10-25)31(41)39-19-13-28(27(24-39)30(40)34-23-26-11-8-22-43-26)36-32(42)38-20-16-33(14-15-33)17-21-38/h8,11,22,25,27-29,35H,3-7,9-10,12-21,23-24H2,1-2H3,(H,34,40)(H,36,42)/t27-,28+,29+/m0/s1 QFXCWSWCSJVCDF-ZGIBFIJWSA-N 498926 N-{(3S,4R)-1-(N~2~- cyclohexyl- N~6~,N~6~-dimethyl- D-lysyl)-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 34 Coagulation factor XII 5.70 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498926&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 154623841 459071804 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040069 CS(=O)(=O)N(CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC3)CC2)[C@H](C1)C(=O)NCc1cccs1)CC(F)(F)F InChI=1S/C34H53F3N6O5S2/c1-50(47,48)43(24-34(35,36)37)17-6-5-11-29(39-25-8-3-2-4-9-25)31(45)42-18-12-28(27(23-42)30(44)38-22-26-10-7-21-49-26)40-32(46)41-19-15-33(13-14-33)16-20-41/h7,10,21,25,27-29,39H,2-6,8-9,11-20,22-24H2,1H3,(H,38,44)(H,40,46)/t27-,28+,29+/m0/s1 RSUKODPGJIIOTC-ZGIBFIJWSA-N 498927 N-{(3S,4R)-1-[N~2~- cyclohexyl-N~6~- (methylsulfonyl)-N~6~- (2,2,2-trifluoroethyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]pi- peridin-4-yl}-6- azaspiro[2.5]octane-6- carboxamide::US11014920, Compound 35 Coagulation factor XII 19.5 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498927&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155059092 459071805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1040070 O=C(Nc1cccs1)[C@H]1CN(CC[C@H]1NC(=O)N1CCCC2(CCNC2=O)C1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 InChI=1S/C34H52N6O4S/c41-30(38-29-13-7-20-45-29)26-22-39(31(42)28(21-24-9-3-1-4-10-24)36-25-11-5-2-6-12-25)19-14-27(26)37-33(44)40-18-8-15-34(23-40)16-17-35-32(34)43/h7,13,20,24-28,36H,1-6,8-12,14-19,21-23H2,(H,35,43)(H,37,44)(H,38,41)/t26-,27+,28+,34?/m0/s1 ALXRTSBZYYYROZ-WZLXPCSASA-N 498928 N-((3S,4R)-1-((R)-3- cyclohexyl-2- (cyclohexylamino)pro- panoyl)-3-((thiophen- 2-ylmethyl)carbamoyl)pi- peridin-4-yl)-1-oxo-2,7- diazaspiro[4.5]decane- 7-carboxamide::US11014920, Compound 36 Coagulation factor XII 428 US Patent 10.7270/Q2QF8X0T aid1805584 US11014920 Hicks, JD; McKittrick, BA; Whitehead, BR; Lombardo, M; Han, X; Taylor, JA; Chu, HD; So, S; Orth, P; Wu, Z Merck Sharp & Dohme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=498928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=498928&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162369426 459071806 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375566 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(N)cc1 InChI=1S/C17H14N2O3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,18H2,1H3,(H,19,20) BCOQZELHYUDVIX-UHFFFAOYSA-N 50556153 CHEMBL4743471 Coagulation factor XII 14000 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556153&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162645692 461694921 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375569 NC(N)=Nc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cc1 InChI=1S/C18H14ClN3O4/c19-9-10-1-6-15-11(7-10)8-14(17(24)26-15)16(23)25-13-4-2-12(3-5-13)22-18(20)21/h1-8H,9H2,(H4,20,21,22) MLPQIHOIJHCNBP-UHFFFAOYSA-N 50180541 4-guanidinophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate::CHEMBL205702 Coagulation factor XII 6000 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180541&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 44409735 104065619 CHEMBL205702 ZINC40563743 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375570 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(NC(N)=N)cc1 InChI=1S/C18H16N4O3/c1-10-2-7-15-11(8-10)9-14(17(24)25-15)16(23)21-12-3-5-13(6-4-12)22-18(19)20/h2-9H,1H3,(H,21,23)(H4,19,20,22) MKGOAXOHAYLLFT-UHFFFAOYSA-N 50556156 CHEMBL4794762 Coagulation factor XII 150000 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556156&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162673959 461694924 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375571 NC(=N)Nc1ccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)cc1 InChI=1S/C17H12BrClN4O3/c18-13-7-9(19)5-8-6-12(16(25)26-14(8)13)15(24)22-10-1-3-11(4-2-10)23-17(20)21/h1-7H,(H,22,24)(H4,20,21,23) JGKOMXQXMFSESD-UHFFFAOYSA-N 50556157 CHEMBL4753701 Coagulation factor XII 102000 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50556157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50556157&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162653815 461694925 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375572 NC(N)=NCCC[C@H](NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18+/m0/s1 BZGZTAKGLPGMAV-ZWKOTPCHSA-N 50328697 (R)-5-guanidino-N-(2-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-2-oxoethyl)-2-(phenylmethylsulfonamido)pentanamide::CHEMBL414002 Coagulation factor XII 50 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50328697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50328697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9916876 123107812 CHEMBL414002 ZINC03929532 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375573 N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1 KWPACVJPAFGBEQ-IKGGRYGDSA-N 50287780 (S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(2-chloro-acetyl)-4-guanidino-butyl]-amide::(S)-1-((R)-2-amino-3-phenylpropanoyl)-N-((S)-1-chloro-6-guanidino-2-oxohexan-3-yl)pyrrolidine-2-carboxamide::CHEMBL307440 Coagulation factor XII 230 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287780&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 0G7 2FIR,1HUT,2HPP,2HPQ,3PMH 5311176 104129351 CHEMBL307440 C03151 ZINC26376363 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375574 CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19) YKGYIDJEEQRWQH-UHFFFAOYSA-N 50104435 4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl ester::CHEMBL87563 Coagulation factor XII 2920 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 3447 104000374 CHEMBL87563 ZINC13118883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375575 NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) MQQNFDZXWVTQEH-UHFFFAOYSA-N 50063698 4-Guanidino-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester::4-Guanidino-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester(FUT-175)::CHEMBL273264::Nafamostat Coagulation factor XII 105 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50063698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50063698&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4413 103958902 CHEMBL273264 4262 ZINC00001763 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51375577 NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26) QMRJOIUGPCVZPH-UHFFFAOYSA-N 50369774 SEPIMOSTAT MESYLATE::Sepimostat Coagulation factor XII 21 ChEMBL 10.1016/j.ejmech.2020.112753 10.7270/Q2542S7Z 32883641 Davoine, C; Bouckaert, C; Fillet, M; Pochet, L University of Namur http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50369774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50369774&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 108041 160848876 ZINC03778392 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356627 Nc1nc(nn1C(=O)C1CCOCC1)-c1ccccn1 InChI=1S/C13H15N5O2/c14-13-16-11(10-3-1-2-6-15-10)17-18(13)12(19)9-4-7-20-8-5-9/h1-3,6,9H,4-5,7-8H2,(H2,14,16,17) LSZCMWDVRZZTSF-UHFFFAOYSA-N 50548597 CHEMBL4764057 Coagulation factor XII 12130 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548597&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162661012 461678937 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356628 Nc1nc(nn1C(=O)C1CCCCC1)-c1ccccn1 InChI=1S/C14H17N5O/c15-14-17-12(11-8-4-5-9-16-11)18-19(14)13(20)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,17,18) PJXPBTJMFSJDRW-UHFFFAOYSA-N 50548598 CHEMBL4761623 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548598&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162659958 461678938 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356629 Nc1nc(nn1C(=O)\C=C\c1ccccc1)-c1ccccn1 InChI=1S/C16H13N5O/c17-16-19-15(13-8-4-5-11-18-13)20-21(16)14(22)10-9-12-6-2-1-3-7-12/h1-11H,(H2,17,19,20)/b10-9+ UPQWLZYRFJSAFO-MDZDMXLPSA-N 50548599 CHEMBL4800646 Coagulation factor XII 9822 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548599&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162677469 461678939 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356630 Nc1nc(nn1C(=O)CNC(=O)c1ccccc1)-c1ccccn1 InChI=1S/C16H14N6O2/c17-16-20-14(12-8-4-5-9-18-12)21-22(16)13(23)10-19-15(24)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,24)(H2,17,20,21) OMIRMBSQNSGXBK-UHFFFAOYSA-N 50548600 CHEMBL4744082 Coagulation factor XII 13200 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548600&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162645728 461678940 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356631 Nc1nc(nn1C(=O)Cc1ccccc1I)-c1ccccn1 InChI=1S/C15H12IN5O/c16-11-6-2-1-5-10(11)9-13(22)21-15(17)19-14(20-21)12-7-3-4-8-18-12/h1-8H,9H2,(H2,17,19,20) YVFPJFVEQPRRJJ-UHFFFAOYSA-N 50548592 CHEMBL4786270 Coagulation factor XII 62 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548592&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162668215 461678932 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356632 Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccn1 InChI=1S/C15H13N5O/c16-15-18-14(12-8-4-5-9-17-12)19-20(15)13(21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,18,19) WLZYFEBXZVJFMV-UHFFFAOYSA-N 50548601 CHEMBL4740475 Coagulation factor XII 210 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162644805 461678941 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356633 Nc1nc(nn1C(=O)c1ccco1)-c1ccccn1 InChI=1S/C12H9N5O2/c13-12-15-10(8-4-1-2-6-14-8)16-17(12)11(18)9-5-3-7-19-9/h1-7H,(H2,13,15,16) KJJKEALCQGNGKZ-UHFFFAOYSA-N 50548602 CHEMBL4764774 Coagulation factor XII 968 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548602&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162661224 461678942 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356634 Nc1nc(nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1)-c1ccccn1 InChI=1S/C21H16N6O2/c22-21-25-18(17-8-4-5-13-23-17)26-27(21)20(29)15-9-11-16(12-10-15)24-19(28)14-6-2-1-3-7-14/h1-13H,(H,24,28)(H2,22,25,26) JZQYZQOGVYSKNL-UHFFFAOYSA-N 50548603 CHEMBL4761275 Coagulation factor XII 109 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548603&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162660217 461678943 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356635 Nc1nc(nn1C(=O)c1ccc(NC(=O)C(F)(F)F)cc1)-c1ccccn1 InChI=1S/C16H11F3N6O2/c17-16(18,19)14(27)22-10-6-4-9(5-7-10)13(26)25-15(20)23-12(24-25)11-3-1-2-8-21-11/h1-8H,(H,22,27)(H2,20,23,24) AOFAPBZPGRSCAZ-UHFFFAOYSA-N 50548604 CHEMBL4749147 Coagulation factor XII 142 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548604&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162651390 461678944 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356636 Nc1nc(nn1C(=O)[C@H]1CCCc2ccccc12)-c1ccccn1 InChI=1S/C18H17N5O/c19-18-21-16(15-10-3-4-11-20-15)22-23(18)17(24)14-9-5-7-12-6-1-2-8-13(12)14/h1-4,6,8,10-11,14H,5,7,9H2,(H2,19,21,22)/t14-/m0/s1 CAVJGRPSJPRJNJ-AWEZNQCLSA-N 50548605 CHEMBL4760132 Coagulation factor XII 134 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548605&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162658307 461678945 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356637 Nc1nc(nn1C(=O)c1ccc2ccccc2c1)-c1ccccn1 InChI=1S/C18H13N5O/c19-18-21-16(15-7-3-4-10-20-15)22-23(18)17(24)14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H2,19,21,22) LOMJHEAYYYPWDO-UHFFFAOYSA-N 50548593 CHEMBL4754247 Coagulation factor XII 138 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548593&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162654991 461678933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356638 Nc1nc(nn1C(=O)c1cccc2ccccc12)-c1ccccn1 InChI=1S/C18H13N5O/c19-18-21-16(15-10-3-4-11-20-15)22-23(18)17(24)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,19,21,22) JSYAAQWLHIRCII-UHFFFAOYSA-N 50548594 CHEMBL4776259 Coagulation factor XII 29 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548594&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162642852 461678934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356639 Nc1nc(nn1C(=O)c1cccnc1)-c1ccccn1 InChI=1S/C13H10N6O/c14-13-17-11(10-5-1-2-7-16-10)18-19(13)12(20)9-4-3-6-15-8-9/h1-8H,(H2,14,17,18) DFFIWNDMVSTYGT-UHFFFAOYSA-N 50548606 CHEMBL4749335 Coagulation factor XII 1606 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548606&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162652373 461678946 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356640 Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccccn1 InChI=1S/C14H10FN5O/c15-10-6-4-9(5-7-10)13(21)20-14(16)18-12(19-20)11-3-1-2-8-17-11/h1-8H,(H2,16,18,19) QKNUHBOQEJLPLK-UHFFFAOYSA-N 50548607 CHEMBL4754712 Coagulation factor XII 306 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548607&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162654445 461678947 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356641 Nc1nc(nn1C(=O)c1ccc(Br)cc1)-c1ccccn1 InChI=1S/C14H10BrN5O/c15-10-6-4-9(5-7-10)13(21)20-14(16)18-12(19-20)11-3-1-2-8-17-11/h1-8H,(H2,16,18,19) IHUNZLYUFXYPJH-UHFFFAOYSA-N 50548608 CHEMBL4781896 Coagulation factor XII 793 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548608&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162664988 461678948 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356642 Nc1nc(nn1C(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccccn1 InChI=1S/C14H10N6O3/c15-14-17-12(11-3-1-2-8-16-11)18-19(14)13(21)9-4-6-10(7-5-9)20(22)23/h1-8H,(H2,15,17,18) ADWWAHSUFXKJFI-UHFFFAOYSA-N 50548609 CHEMBL4800151 Coagulation factor XII 5934 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548609&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162676536 461678949 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356643 Nc1nc(nn1C(=O)c1ccccc1[N+]([O-])=O)-c1ccccn1 InChI=1S/C14H10N6O3/c15-14-17-12(10-6-3-4-8-16-10)18-19(14)13(21)9-5-1-2-7-11(9)20(22)23/h1-8H,(H2,15,17,18) FVLOLXLQZQVQOB-UHFFFAOYSA-N 50548610 CHEMBL4762106 Coagulation factor XII 1560 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548610&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162660326 461678950 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356644 Nc1nc(nn1C(=O)c1ccc(cc1)C(F)(F)F)-c1ccccn1 InChI=1S/C15H10F3N5O/c16-15(17,18)10-6-4-9(5-7-10)13(24)23-14(19)21-12(22-23)11-3-1-2-8-20-11/h1-8H,(H2,19,21,22) OTFGFYGXBRSCPI-UHFFFAOYSA-N 50548611 CHEMBL4759962 Coagulation factor XII 3207 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548611&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162658409 461678951 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356645 CCc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccccn1 InChI=1S/C16H15N5O/c1-2-11-6-8-12(9-7-11)15(22)21-16(17)19-14(20-21)13-5-3-4-10-18-13/h3-10H,2H2,1H3,(H2,17,19,20) WINMHXQNIIDEPT-UHFFFAOYSA-N 50548612 CHEMBL4750895 Coagulation factor XII 162 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548612&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162651731 461678952 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356646 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccccn1 InChI=1S/C15H13N5O2/c1-22-11-7-5-10(6-8-11)14(21)20-15(16)18-13(19-20)12-4-2-3-9-17-12/h2-9H,1H3,(H2,16,18,19) NHXDITCQCUWVEW-UHFFFAOYSA-N 50548613 CHEMBL4786773 Coagulation factor XII 291 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548613&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162667499 461678953 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356647 Cc1ccc(cc1C)C(=O)n1nc(nc1N)-c1ccccn1 InChI=1S/C16H15N5O/c1-10-6-7-12(9-11(10)2)15(22)21-16(17)19-14(20-21)13-5-3-4-8-18-13/h3-9H,1-2H3,(H2,17,19,20) DZGOQOXWBUEYTK-UHFFFAOYSA-N 50548595 CHEMBL4777212 Coagulation factor XII 91 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548595&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162643031 461678935 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356648 Cc1cccc(c1)C(=O)n1nc(nc1N)-c1ccccn1 InChI=1S/C15H13N5O/c1-10-5-4-6-11(9-10)14(21)20-15(16)18-13(19-20)12-7-2-3-8-17-12/h2-9H,1H3,(H2,16,18,19) LGYDKGKNEZTQLV-UHFFFAOYSA-N 50548614 CHEMBL4783236 Coagulation factor XII 93 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548614&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162664502 461678954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356649 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 KGFYHTZWPPHNLQ-AWEZNQCLSA-N 7840 RIVAROXABAN::US8822458, 44::US8822458, 97 Coagulation factor XII >33000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7840&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search RIV 5VOF,2W26 9875401 242052786 DB08477 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356650 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) YBSJFWOBGCMAKL-UHFFFAOYSA-N 50112086 3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid::CHEMBL48361::DABIGATRAN Coagulation factor XII >33000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112086&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 4CC 4YHM,4YHK,4YHI,4YHO,4JN2 216210 104006599 70752 CHEMBL48361 6380 ZINC01910616 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356651 CCOc1ccc(Nc2n[nH]c(NC(=O)c3ccccc3)n2)cc1 InChI=1S/C17H17N5O2/c1-2-24-14-10-8-13(9-11-14)18-16-20-17(22-21-16)19-15(23)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H3,18,19,20,21,22,23) HPQVPAPOFNYTQJ-UHFFFAOYSA-N 50548615 CHEMBL4753362 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548615&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162653608 461678955 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356652 O=C(Nc1nc(Nc2ccccc2)n[nH]1)c1ccccc1 InChI=1S/C15H13N5O/c21-13(11-7-3-1-4-8-11)17-15-18-14(19-20-15)16-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21) JSXAZVPBIUDZNM-UHFFFAOYSA-N 50548616 CHEMBL4755409 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548616&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 125464900 461678956 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356653 O=C(Nc1nc(Nc2cccnc2)n[nH]1)c1ccccc1 InChI=1S/C14H12N6O/c21-12(10-5-2-1-3-6-10)17-14-18-13(19-20-14)16-11-7-4-8-15-9-11/h1-9H,(H3,16,17,18,19,20,21) YEJRKPZDQGAWGS-UHFFFAOYSA-N 50548617 CHEMBL4748586 Coagulation factor XII >5000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548617&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162649194 461678957 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356654 O=C(Nc1nc(n[nH]1)-c1ccncc1)C1CCCCC1 InChI=1S/C14H17N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h6-9,11H,1-5H2,(H2,16,17,18,19,20) FHNMKTHKWQBUHT-UHFFFAOYSA-N 50548618 CHEMBL4756713 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548618&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162655757 461678958 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356655 O=C(Nc1nc(n[nH]1)-c1ccccn1)Oc1ccccc1 InChI=1S/C14H11N5O2/c20-14(21-10-6-2-1-3-7-10)17-13-16-12(18-19-13)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20) BZBCWWCAZDQFSC-UHFFFAOYSA-N 50548619 CHEMBL4780154 Coagulation factor XII 617 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548619&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162663380 461678959 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356656 Cc1ccc(cc1)S(=O)(=O)Nc1nc(n[nH]1)-c1ccncc1 InChI=1S/C14H13N5O2S/c1-10-2-4-12(5-3-10)22(20,21)19-14-16-13(17-18-14)11-6-8-15-9-7-11/h2-9H,1H3,(H2,16,17,18,19) UEVIEGLUPJPGTQ-UHFFFAOYSA-N 50548620 CHEMBL4791078 Coagulation factor XII >1000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548620&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162670399 461678960 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356657 O=C(Nc1nc(n[nH]1)-c1ccncc1)c1ccccc1 InChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20) BAQBCWWGOQNMJV-UHFFFAOYSA-N 50548621 CHEMBL4746556 Coagulation factor XII 106 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548621&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 935059 461678961 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356658 O=C(Nc1nc(n[nH]1)-c1cccnc1)c1ccccc1 InChI=1S/C14H11N5O/c20-13(10-5-2-1-3-6-10)17-14-16-12(18-19-14)11-7-4-8-15-9-11/h1-9H,(H2,16,17,18,19,20) JPJWLXDMTIOTSV-UHFFFAOYSA-N 50548622 CHEMBL4797183 Coagulation factor XII 298 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548622&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 162675742 461678962 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356659 O=C(Nc1nc(n[nH]1)-c1ccccn1)c1ccccc1 InChI=1S/C14H11N5O/c20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20) LDGAAMMSVIUSAT-UHFFFAOYSA-N 50548596 CHEMBL4748137 Coagulation factor XII 132 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548596&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 86992066 461678936 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356660 O=C(Nc1nnc([nH]1)-c1ccccc1)c1ccccc1 InChI=1S/C15H12N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20) ZNIQLYYOYYLSEW-UHFFFAOYSA-N 50392816 CHEMBL2151128 Coagulation factor XII 539 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50392816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50392816&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 570244 163341840 CHEMBL2151128 ZINC32736076 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356661 Nc1n[nH]c(n1)-c1ccncc1 InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12) PHYOJNNPPUPKEA-UHFFFAOYSA-N 50548623 CHEMBL432863 Coagulation factor XII >5000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548623&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 199040 461678963 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356662 Nc1n[nH]c(n1)-c1ccccn1 InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H3,8,10,11,12) VPTQEOQBSABCKV-UHFFFAOYSA-N 50548624 CHEMBL295684 Coagulation factor XII >5000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548624&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 12011792 461678964 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51356663 Nc1n[nH]c(n1)-c1ccccc1 InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) GHUDJFJZFUVPIQ-UHFFFAOYSA-N 50548625 CHEMBL1568624 Coagulation factor XII >5000 ChEMBL 10.1021/acs.jmedchem.0c01635 10.7270/Q2JM2F72 33089691 Korff, M; Imberg, L; Will, JM; Bückreiß, N; Kalinina, SA; Wenzel, BM; Kastner, GA; Daniliuc, CG; Barth, M; Ovsepyan, RA; Butov, KR; Humpf, HU; Lehr, M; Panteleev, MA; Poso, A; Karst, U; Steinmetzer, T; Bendas, G; Kalinin, DV University of M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50548625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50548625&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 95778 461678965 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116154 COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F InChI=1S/C25H24FN5O3/c1-34-21-6-4-5-19(23(21)26)13-28-25(33)20-16-31(29-24(20)27)15-18-10-8-17(9-11-18)14-30-12-3-2-7-22(30)32/h2-12,16H,13-15H2,1H3,(H2,27,29)(H,28,33) HICYNMRHZGAFMT-UHFFFAOYSA-N 408666 3-Amino-1-[4-(2-oxo-2H-pyridin-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 2-fluoro-3-methoxy-benzylamide::US10364238, Example 2::US11001578, Example 2::US11084809, Example 2::US11198691, Example 2 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408666&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365045 406799300 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116161 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) KGMPDQIYDKKXRD-UHFFFAOYSA-N 408717 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide ::US10364238, Example 41::US10730874, Example 00397::US11001578, Example 41::US11084809, Example 41::US11198691, Example 41::US11352356, Table II.3::US11584735, Example 41 of WO2016/083820 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365142 406799348 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116165 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C28H26FN5O4/c1-37-18-24-23(28(36)31-14-22-21(13-30)10-11-25(38-2)27(22)29)17-34(32-24)16-20-8-6-19(7-9-20)15-33-12-4-3-5-26(33)35/h3-12,17H,14-16,18H2,1-2H3,(H,31,36) SPXOTFDBWDBJRN-UHFFFAOYSA-N 408768 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2-::US10364238, Example 77::US10730874, Example 00398::US11001578, Example 77::US11084809, Example 77::US11198691, Example 77::US11352356, Table II.4 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408768&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365006 406799399 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116175 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1 InChI=1S/C27H25FN8O3/c1-39-17-24-22(27(38)29-13-21-23(28)5-4-6-25(21)36-18-30-32-33-36)16-35(31-24)15-20-10-8-19(9-11-20)14-34-12-3-2-7-26(34)37/h2-12,16,18H,13-15,17H2,1H3,(H,29,38) RFDDQESTEHOGAA-UHFFFAOYSA-N 528074 N-{[2-Fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Reference Example H Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528074&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365143 463791630 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116179 COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1 InChI=1S/C24H24ClN5O2/c1-32-17-23-22(24(31)26-13-20-4-2-5-21(25)12-20)16-30(28-23)15-19-8-6-18(7-9-19)14-29-11-3-10-27-29/h2-12,16H,13-15,17H2,1H3,(H,26,31) UVWDUNJLDUOHNO-UHFFFAOYSA-N 528075 US11180484, Example 7 from WO 013/111108::US11180484, Reference Example I Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528075&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203063 463791631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116183 COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1 InChI=1S/C24H24ClN5O2/c1-32-17-23-22(24(31)26-13-20-4-2-5-21(25)12-20)16-30(28-23)15-19-8-6-18(7-9-19)14-29-11-3-10-27-29/h2-12,16H,13-15,17H2,1H3,(H,26,31) UVWDUNJLDUOHNO-UHFFFAOYSA-N 528075 US11180484, Example 7 from WO 013/111108::US11180484, Reference Example I Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528075&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203063 463791631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116187 COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F InChI=1S/C22H19ClFN5O2/c1-13-3-5-15-9-14(4-7-18(15)26-13)11-29-12-19(27-28-29)22(30)25-10-16-17(23)6-8-20(31-2)21(16)24/h3-9,12H,10-11H2,1-2H3,(H,25,30) DFJBJVOVYHHCOV-UHFFFAOYSA-N 528077 N-i6-chloro-2-fluoro-3-methoxybenzyl)-1 -ii2-methylquinolin-6-yl)methyl)-1 H-1 ,2,3-triazole-4-carboxamide::US11180484, Example 14 from WO 013/111108 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528077&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71679117 463791632 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116191 COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1F InChI=1S/C24H23ClFN5O2/c1-33-16-22-20(24(32)27-12-19-4-2-5-21(25)23(19)26)15-31(29-22)14-18-8-6-17(7-9-18)13-30-11-3-10-28-30/h2-11,15H,12-14,16H2,1H3,(H,27,32) DYIVTSZIHRLXBK-UHFFFAOYSA-N 528078 US11180484, Example 27 from WO 013/111108::US11180484, Reference Example J Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528078&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203069 463791633 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116195 COCc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1cccc(Cl)c1F InChI=1S/C24H23ClFN5O2/c1-33-16-22-20(24(32)27-12-19-4-2-5-21(25)23(19)26)15-31(29-22)14-18-8-6-17(7-9-18)13-30-11-3-10-28-30/h2-11,15H,12-14,16H2,1H3,(H,27,32) DYIVTSZIHRLXBK-UHFFFAOYSA-N 528078 US11180484, Example 27 from WO 013/111108::US11180484, Reference Example J Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528078&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203069 463791633 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116199 COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C25H27FN6O3/c1-17-10-29-31(12-17)13-18-4-6-19(7-5-18)14-32-15-20(22(30-32)16-34-2)25(33)28-11-21-24(26)23(35-3)8-9-27-21/h4-10,12,15H,11,13-14,16H2,1-3H3,(H,28,33) AYLKBOMDSJTOGZ-UHFFFAOYSA-N 528081 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(4- methylpyrazol-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 1 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528081&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301824 463791635 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116203 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncn1 InChI=1S/C25H26N6O4/c1-34-16-22-21(25(33)26-12-20-11-23(35-2)28-17-27-20)15-31(29-22)14-19-8-6-18(7-9-19)13-30-10-4-3-5-24(30)32/h3-11,15,17H,12-14,16H2,1-2H3,(H,26,33) WCADOIWPLIAFRR-UHFFFAOYSA-N 528082 3-(methoxymethyl)-N-[(6-methoxypyrimidin-4-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 4 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528082&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301833 463791636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116207 COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F InChI=1S/C24H23FN6O3/c1-34-20-9-10-27-19(22(20)25)12-28-24(33)18-15-31(29-23(18)26)14-17-7-5-16(6-8-17)13-30-11-3-2-4-21(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,28,33) LHZHVJWEENFPHR-UHFFFAOYSA-N 528083 3-amino-N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 5 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528083&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301813 463791637 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116211 COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F InChI=1S/C25H21F4N5O3/c1-37-20-9-10-30-19(22(20)26)12-31-24(36)18-15-34(32-23(18)25(27,28)29)14-17-7-5-16(6-8-17)13-33-11-3-2-4-21(33)35/h2-11,15H,12-14H2,1H3,(H,31,36) NKTBXDIJVDKJRR-UHFFFAOYSA-N 528084 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide::US11180484, Example 6 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528084&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301871 463791638 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116215 COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F InChI=1S/C26H27FN6O3/c1-31(2)25-20(26(35)29-14-21-24(27)22(36-3)11-12-28-21)17-33(30-25)16-19-9-7-18(8-10-19)15-32-13-5-4-6-23(32)34/h4-13,17H,14-16H2,1-3H3,(H,29,35) VBARDULQROXGKU-UHFFFAOYSA-N 528085 3-(dimethylamino)-N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 7 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528085&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301861 463791639 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116219 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncc1C#N InChI=1S/C27H26N6O4/c1-36-18-24-23(27(35)30-13-21-11-25(37-2)29-14-22(21)12-28)17-33(31-24)16-20-8-6-19(7-9-20)15-32-10-4-3-5-26(32)34/h3-11,14,17H,13,15-16,18H2,1-2H3,(H,30,35) AXDZSJQRHYIUDG-UHFFFAOYSA-N 528086 N-[(5-cyano-2-methoxypyridin-4-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 8 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528086&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301847 463791640 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116223 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1 InChI=1S/C25H26N6O4/c1-34-17-21-20(25(33)27-13-22-26-11-10-23(28-22)35-2)16-31(29-21)15-19-8-6-18(7-9-19)14-30-12-4-3-5-24(30)32/h3-12,16H,13-15,17H2,1-2H3,(H,27,33) MHQPAMQKPZNORS-UHFFFAOYSA-N 528087 3-(methoxymethyl)-N-[(4-methoxypyrimidin-2-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 10 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528087&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301874 463791641 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116227 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(C)c(OC)c1C InChI=1S/C28H31N5O4/c1-19-13-29-24(20(2)27(19)37-4)14-30-28(35)23-17-33(31-25(23)18-36-3)16-22-10-8-21(9-11-22)15-32-12-6-5-7-26(32)34/h5-13,17H,14-16,18H2,1-4H3,(H,30,35) GQIPLMKRGZCNHM-UHFFFAOYSA-N 528088 N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 11 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528088&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301865 463791642 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116231 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncccc1C#N InChI=1S/C26H24N6O3/c1-35-18-24-22(26(34)29-14-23-21(13-27)5-4-11-28-23)17-32(30-24)16-20-9-7-19(8-10-20)15-31-12-3-2-6-25(31)33/h2-12,17H,14-16,18H2,1H3,(H,29,34) CXNMCPFLYVYHGI-UHFFFAOYSA-N 528090 N-[(3-cyanopyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 13 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528090&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301816 463791644 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116235 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1C#N InChI=1S/C26H23ClN6O3/c1-36-17-24-22(26(35)30-13-23-20(11-28)10-21(27)12-29-23)16-33(31-24)15-19-7-5-18(6-8-19)14-32-9-3-2-4-25(32)34/h2-10,12,16H,13-15,17H2,1H3,(H,30,35) DLOVVYIYYDQZJE-UHFFFAOYSA-N 528091 N-[(5-chloro-3-cyanopyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 16 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528091&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301878 463791645 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116239 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1F InChI=1S/C25H23ClFN5O3/c1-35-16-23-20(25(34)29-12-22-21(27)10-19(26)11-28-22)15-32(30-23)14-18-7-5-17(6-8-18)13-31-9-3-2-4-24(31)33/h2-11,15H,12-14,16H2,1H3,(H,29,34) ZGVHOERMFFOQEE-UHFFFAOYSA-N 528092 N-[(5-chloro-3-fluoropyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 17 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528092&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301867 463791646 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116243 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)c(C)cn1 InChI=1S/C27H29N5O4/c1-19-13-28-22(12-25(19)36-3)14-29-27(34)23-17-32(30-24(23)18-35-2)16-21-9-7-20(8-10-21)15-31-11-5-4-6-26(31)33/h4-13,17H,14-16,18H2,1-3H3,(H,29,34) SSHUXJONDGHEDC-UHFFFAOYSA-N 528093 N-[(4-methoxy-5-methylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 20 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528093&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301887 463791647 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116247 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C InChI=1S/C27H29N5O4/c1-19-23(28-12-11-25(19)36-3)14-29-27(34)22-17-32(30-24(22)18-35-2)16-21-9-7-20(8-10-21)15-31-13-5-4-6-26(31)33/h4-13,17H,14-16,18H2,1-3H3,(H,29,34) BUIQZUSRWDPBSM-UHFFFAOYSA-N 528094 N-[(4-methoxy-3-methylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 22 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528094&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301877 463791648 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116251 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(F)cc1F InChI=1S/C25H23F2N5O3/c1-35-16-23-20(25(34)29-12-22-21(27)10-19(26)11-28-22)15-32(30-23)14-18-7-5-17(6-8-18)13-31-9-3-2-4-24(31)33/h2-11,15H,12-14,16H2,1H3,(H,29,34) LBBWYBIVLDSOSM-UHFFFAOYSA-N 528095 N-[(3,5-difluoropyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 26 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528095&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301863 463791649 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116255 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nc(C)ccc1F InChI=1S/C26H26FN5O3/c1-18-6-11-22(27)23(29-18)13-28-26(34)21-16-32(30-24(21)17-35-2)15-20-9-7-19(8-10-20)14-31-12-4-3-5-25(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,28,34) NFELVQQHZHAYGB-UHFFFAOYSA-N 528096 N-[(3-fluoro-6-methylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 27 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528096&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301864 463791650 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116259 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1F InChI=1S/C26H26FN5O3/c1-18-10-11-28-22(25(18)27)13-29-26(34)21-16-32(30-23(21)17-35-2)15-20-8-6-19(7-9-20)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) KORWPMHMESLCMI-UHFFFAOYSA-N 528097 N-[(3-fluoro-4-methylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 28 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528097&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301835 463791651 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116263 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1Cl InChI=1S/C26H26ClN5O3/c1-18-10-11-28-22(25(18)27)13-29-26(34)21-16-32(30-23(21)17-35-2)15-20-8-6-19(7-9-20)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) JGKXIESKLZBKHM-UHFFFAOYSA-N 528098 N-[(3-chloro-4-methylpyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 29 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528098&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301866 463791652 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116267 COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35) ZRUFVDPYHLTYPD-UHFFFAOYSA-N 528099 1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}methyl)-N-[(3-fluoro-4- methoxypyridin-2-yl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 30::US11584735, Compound of Formula A Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528099&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301832 463791653 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116271 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1 InChI=1S/C25H28N6O4/c1-29-24(35-3)12-20(27-29)13-26-25(33)21-16-31(28-22(21)17-34-2)15-19-9-7-18(8-10-19)14-30-11-5-4-6-23(30)32/h4-12,16H,13-15,17H2,1-3H3,(H,26,33) AKTSEYYIYFHXQV-UHFFFAOYSA-N 528100 N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 31 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528100&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301821 463791654 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116278 COc1ccc(F)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F InChI=1S/C25H23F2N5O3/c1-35-21-10-9-20(26)18(23(21)27)12-29-25(34)19-15-32(30-24(19)28)14-17-7-5-16(6-8-17)13-31-11-3-2-4-22(31)33/h2-11,15H,12-14H2,1H3,(H2,28,30)(H,29,34) YPEAKNASZHJRPG-UHFFFAOYSA-N 528102 3-amino-N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 35 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528102&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365126 463791656 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116282 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C#N InChI=1S/C28H27N5O4/c1-36-19-26-25(28(35)30-15-23-13-24(37-2)11-10-22(23)14-29)18-33(31-26)17-21-8-6-20(7-9-21)16-32-12-4-3-5-27(32)34/h3-13,18H,15-17,19H2,1-2H3,(H,30,35) JWIURRVFGQJOEK-UHFFFAOYSA-N 528103 N-[(2-cyano-5-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 37 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528103&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365064 463791657 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116286 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC)c1C#N InChI=1S/C28H27N5O4/c1-36-19-25-24(28(35)30-15-22-6-5-7-26(37-2)23(22)14-29)18-33(31-25)17-21-11-9-20(10-12-21)16-32-13-4-3-8-27(32)34/h3-13,18H,15-17,19H2,1-2H3,(H,30,35) YBWZNXCRUYMFTB-UHFFFAOYSA-N 528104 N-[(2-cyano-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 38 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528104&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301848 463791658 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116290 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C28H27FN8O4/c1-40-17-23-22(28(39)30-13-21-24(37-18-31-33-34-37)10-11-25(41-2)27(21)29)16-36(32-23)15-20-8-6-19(7-9-20)14-35-12-4-3-5-26(35)38/h3-12,16,18H,13-15,17H2,1-2H3,(H,30,39) CQJUCEDANVNSLY-UHFFFAOYSA-N 528105 N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)- 1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 39 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528105&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301841 463791659 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116294 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 InChI=1S/C28H28N8O4/c1-39-18-25-24(28(38)29-14-22-13-23(40-2)10-11-26(22)36-19-30-32-33-36)17-35(31-25)16-21-8-6-20(7-9-21)15-34-12-4-3-5-27(34)37/h3-13,17,19H,14-16,18H2,1-2H3,(H,29,38) GOOYDEXCZNZXML-UHFFFAOYSA-N 528106 N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 40 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528106&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190788 463791660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116298 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C InChI=1S/C28H30N4O4/c1-20-7-12-24(36-3)14-23(20)15-29-28(34)25-18-32(30-26(25)19-35-2)17-22-10-8-21(9-11-22)16-31-13-5-4-6-27(31)33/h4-14,18H,15-17,19H2,1-3H3,(H,29,34) IYZKNUPIGJTMIO-UHFFFAOYSA-N 528107 N-[(5-methoxy-2-methylphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 41 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528107&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301810 463791661 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116302 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C(N)=O InChI=1S/C28H28FN5O5/c1-38-17-23-22(28(37)31-13-21-20(27(30)36)10-11-24(39-2)26(21)29)16-34(32-23)15-19-8-6-18(7-9-19)14-33-12-4-3-5-25(33)35/h3-12,16H,13-15,17H2,1-2H3,(H2,30,36)(H,31,37) HHFDDRTYFWHVIW-UHFFFAOYSA-N 528108 N-[(6-carbamoyl-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 42::US11180484, Example 43 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528108&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301883 463791662 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116306 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C(N)=O InChI=1S/C28H28FN5O5/c1-38-17-23-22(28(37)31-13-21-20(27(30)36)10-11-24(39-2)26(21)29)16-34(32-23)15-19-8-6-18(7-9-19)14-33-12-4-3-5-25(33)35/h3-12,16H,13-15,17H2,1-2H3,(H2,30,36)(H,31,37) HHFDDRTYFWHVIW-UHFFFAOYSA-N 528108 N-[(6-carbamoyl-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 42::US11180484, Example 43 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528108&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301883 463791662 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116310 COc1ccc(C#N)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F InChI=1S/C28H27FN6O3/c1-33(2)27-23(28(37)31-15-22-21(14-30)11-12-24(38-3)26(22)29)18-35(32-27)17-20-9-7-19(8-10-20)16-34-13-5-4-6-25(34)36/h4-13,18H,15-17H2,1-3H3,(H,31,37) GLQJORYVDYGMMX-UHFFFAOYSA-N 528110 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(dimethylamino)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 44 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528110&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301855 463791663 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116314 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(F)ccc1-n1cnnn1 InChI=1S/C27H25FN8O3/c1-39-17-24-23(27(38)29-13-21-12-22(28)9-10-25(21)36-18-30-32-33-36)16-35(31-24)15-20-7-5-19(6-8-20)14-34-11-3-2-4-26(34)37/h2-12,16,18H,13-15,17H2,1H3,(H,29,38) HGAHDIXAZKUMIT-UHFFFAOYSA-N 528111 N-{[5-fluoro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 49 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528111&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132191131 463791664 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116318 COCc1nn(Cc2ccc(Cn3ccccc3=O)cn2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C27H25FN6O4/c1-37-17-23-22(27(36)31-13-21-19(11-29)7-9-24(38-2)26(21)28)16-34(32-23)15-20-8-6-18(12-30-20)14-33-10-4-3-5-25(33)35/h3-10,12,16H,13-15,17H2,1-2H3,(H,31,36) VWRXUAIDRNILSA-UHFFFAOYSA-N 528113 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({5-[(2- oxopyridin-1-yl)methyl]pyridin-2-yl}methyl)pyrazole-4-carboxamide::US11180484, Example 51 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528113&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301836 463791666 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116322 COCc1nn(Cc2ccc(Cn3ccccc3=O)nc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C27H25FN6O4/c1-37-17-23-22(27(36)31-13-21-19(11-29)7-9-24(38-2)26(21)28)16-34(32-23)14-18-6-8-20(30-12-18)15-33-10-4-3-5-25(33)35/h3-10,12,16H,13-15,17H2,1-2H3,(H,31,36) YPPJNDBRBJRPMM-UHFFFAOYSA-N 528115 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({6-[(2- oxopyridin-1-yl)methyl]pyridin-3-yl}methyl)pyrazole-4-carboxamide::US11180484, Example 52 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528115&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301840 463791668 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116326 COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C28H25F2N5O4/c1-38-17-24-23(28(37)32-12-22-20(11-31)7-9-25(39-2)27(22)30)16-35(33-24)14-19-5-3-18(4-6-19)13-34-15-21(29)8-10-26(34)36/h3-10,15-16H,12-14,17H2,1-2H3,(H,32,37) WONUSGGEAIADDP-UHFFFAOYSA-N 528116 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-1-({4-[(5-fluoro-2-oxopyridin-1- yl)methyl]phenyl}methyl)-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 53 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528116&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301886 463791669 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116330 COCc1nn(Cc2ccc(CN3CCCCC3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C28H30FN5O4/c1-37-18-24-23(28(36)31-14-22-21(13-30)10-11-25(38-2)27(22)29)17-34(32-24)16-20-8-6-19(7-9-20)15-33-12-4-3-5-26(33)35/h6-11,17H,3-5,12,14-16,18H2,1-2H3,(H,31,36) XPTZMLCDXVNVHH-UHFFFAOYSA-N 528117 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-({4-[(2- oxopiperidin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 57 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528117&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301879 463791670 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116334 COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N InChI=1S/C24H26FN7O3/c1-34-15-20-19(23(33)27-12-18-17(9-26)5-6-21(35-2)22(18)25)14-32(30-20)13-16-10-28-24(29-11-16)31-7-3-4-8-31/h5-6,10-11,14H,3-4,7-8,12-13,15H2,1-2H3,(H,27,33) SIRHHDJBZGUQGP-UHFFFAOYSA-N 528118 N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-{[2-(pyrrolidin- 1-yl)pyrimidin-5-yl]methyl}pyrazole-4-carboxamide::US11180484, Example 58 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528118&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365010 463791671 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116338 COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C27H28FN9O3/c1-18-10-31-35(12-18)13-19-4-6-20(7-5-19)14-36-15-22(23(32-36)16-39-2)27(38)29-11-21-24(37-17-30-33-34-37)8-9-25(40-3)26(21)28/h4-10,12,15,17H,11,13-14,16H2,1-3H3,(H,29,38) RBMQELRIPLOTLF-UHFFFAOYSA-N 528119 N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)- 1-({4-[(4-methylpyrazol-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 60 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528119&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190780 463791672 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116342 COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 InChI=1S/C27H29N9O3/c1-19-11-30-34(13-19)14-20-4-6-21(7-5-20)15-35-16-24(25(31-35)17-38-2)27(37)28-12-22-10-23(39-3)8-9-26(22)36-18-29-32-33-36/h4-11,13,16,18H,12,14-15,17H2,1-3H3,(H,28,37) ZGDCEZCTTYIMHX-UHFFFAOYSA-N 528120 N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(4- methylpyrazol-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 61 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528120&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190914 463791673 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116346 Fc1cccc(c1CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F)-n1cnnn1 InChI=1S/C26H20F4N8O2/c27-21-4-3-5-22(38-16-32-34-35-38)19(21)12-31-25(40)20-15-37(33-24(20)26(28,29)30)14-18-9-7-17(8-10-18)13-36-11-2-1-6-23(36)39/h1-11,15-16H,12-14H2,(H,31,40) QIVLFDQQTJYRNZ-UHFFFAOYSA-N 528121 N-{[2-fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide::US11180484, Example 64 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528121&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301858 463791674 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116350 Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 InChI=1S/C25H22ClN9O2/c26-20-8-9-22(35-16-29-31-32-35)19(11-20)12-28-25(37)21-15-34(30-24(21)27)14-18-6-4-17(5-7-18)13-33-10-2-1-3-23(33)36/h1-11,15-16H,12-14H2,(H2,27,30)(H,28,37) VRRRZDGKLGIBNH-UHFFFAOYSA-N 528122 3-amino-N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 71 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528122&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190846 463791675 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116354 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 InChI=1S/C27H25ClN8O3/c1-39-17-24-23(27(38)29-13-21-12-22(28)9-10-25(21)36-18-30-32-33-36)16-35(31-24)15-20-7-5-19(6-8-20)14-34-11-3-2-4-26(34)37/h2-12,16,18H,13-15,17H2,1H3,(H,29,38) HXIVOBRAPHEKKR-UHFFFAOYSA-N 528123 N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 72 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528123&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301839 463791676 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116358 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(Cl)cccc1-n1cnnn1 InChI=1S/C27H25ClN8O3/c1-39-17-24-22(27(38)29-13-21-23(28)5-4-6-25(21)36-18-30-32-33-36)16-35(31-24)15-20-10-8-19(9-11-20)14-34-12-3-2-7-26(34)37/h2-12,16,18H,13-15,17H2,1H3,(H,29,38) NHDCXSLYRRLZMJ-UHFFFAOYSA-N 528124 N-{[2-chloro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide::US11180484, Example 73 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528124&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301885 463791677 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116362 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ccccc1-n1cnnn1 InChI=1S/C27H26N8O3/c1-38-18-24-23(27(37)28-14-22-6-2-3-7-25(22)35-19-29-31-32-35)17-34(30-24)16-21-11-9-20(10-12-21)15-33-13-5-4-8-26(33)36/h2-13,17,19H,14-16,18H2,1H3,(H,28,37) VGDXNXATYVCKMM-UHFFFAOYSA-N 528125 3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)-N-{[2-(1,2,3,4- tetrazol-1-yl)phenyl]methyl}pyrazole-4-carboxamide::US11180484, Example 74 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528125&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190912 463791678 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116366 COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36) DGIRMJAUTLUPMU-UHFFFAOYSA-N 455297 US10730874, Compound TABLE II.2::US11180484, Example 77::US11352356, Table II.2 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=455297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=455297&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301849 440971115 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116370 COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C24H27FN10O3/c1-37-14-19-18(13-34(30-19)12-16-9-27-24(28-10-16)33-7-3-4-8-33)23(36)26-11-17-20(35-15-29-31-32-35)5-6-21(38-2)22(17)25/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3,(H,26,36) GSFPQMPKJFXLTO-UHFFFAOYSA-N 528127 US11180484, Example 79::US11180484, Reference Example K::US11613527, Example RC4 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528127&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203422 463791680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116374 COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C24H27FN10O3/c1-37-14-19-18(13-34(30-19)12-16-9-27-24(28-10-16)33-7-3-4-8-33)23(36)26-11-17-20(35-15-29-31-32-35)5-6-21(38-2)22(17)25/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3,(H,26,36) GSFPQMPKJFXLTO-UHFFFAOYSA-N 528127 US11180484, Example 79::US11180484, Reference Example K::US11613527, Example RC4 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528127&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132203422 463791680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116378 COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 InChI=1S/C24H28N10O3/c1-36-15-21-20(14-33(29-21)13-17-10-26-24(27-11-17)32-7-3-4-8-32)23(35)25-12-18-9-19(37-2)5-6-22(18)34-16-28-30-31-34/h5-6,9-11,14,16H,3-4,7-8,12-13,15H2,1-2H3,(H,25,35) OLELYTACRIKUHK-UHFFFAOYSA-N 528129 N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-{[2- (pyrrolidin-1-yl)pyrimidin-5-yl]methyl}pyrazole-4-carboxamide::US11180484, Example 80 Coagulation factor XII >4000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528129&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301873 463791681 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116382 COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1 InChI=1S/C24H23F4N9O2/c1-39-19-6-5-18(37-14-31-33-34-37)16(21(19)25)11-30-23(38)17-13-36(32-22(17)24(26,27)28)12-15-4-7-20(29-10-15)35-8-2-3-9-35/h4-7,10,13-14H,2-3,8-9,11-12H2,1H3,(H,30,38) SHZUCTHKVWMOJI-UHFFFAOYSA-N 528130 N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-{[6-(pyrrolidin-1- yl)pyridin-3-yl]methyl}-3-(trifluoromethyl)pyrazole-4-carboxamide::US11180484, Example 83 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528130&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301859 463791682 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116386 COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C24H25F3N10O3/c1-39-12-18-17(11-36(32-18)10-15-7-29-23(30-8-15)35-6-5-24(26,27)13-35)22(38)28-9-16-19(37-14-31-33-34-37)3-4-20(40-2)21(16)25/h3-4,7-8,11,14H,5-6,9-10,12-13H2,1-2H3,(H,28,38) CEOSELUUHJNGPA-UHFFFAOYSA-N 528131 1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]methyl}-N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 86 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528131&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301811 463791683 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116390 COCc1nn(Cc2ccc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 InChI=1S/C25H26F3N9O3/c1-39-13-19-18(12-36(32-19)11-16-3-6-22(29-9-16)35-8-7-25(27,28)14-35)24(38)30-10-17-20(37-15-31-33-34-37)4-5-21(40-2)23(17)26/h3-6,9,12,15H,7-8,10-11,13-14H2,1-2H3,(H,30,38) HWYRMCCHOBIHJO-UHFFFAOYSA-N 528132 1-{[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]methyl}-N-{[2-fluoro-3-methoxy-6- (1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 87 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528132&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301856 463791684 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1116394 COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 InChI=1S/C24H26F2N10O3/c1-38-13-20-19(22(37)27-10-17-7-18(39-2)3-4-21(17)36-15-30-32-33-36)12-35(31-20)11-16-8-28-23(29-9-16)34-6-5-24(25,26)14-34/h3-4,7-9,12,15H,5-6,10-11,13-14H2,1-2H3,(H,27,37) GXMGYLDFFLDKJK-UHFFFAOYSA-N 528133 1-{[2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]methyl}-N-{[5-methoxy-2-(1,2,3,4- tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 88 Coagulation factor XII >40000 US Patent 10.7270/Q2MG7SP5 aid1806154 US11180484 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528133&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 132190827 463791685 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164791 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CCN(Cc2c1N)C(=O)OC(C)(C)C InChI=1S/C21H25N5O3/c1-12-10-14-13(6-5-7-16(14)23-12)19(27)26-18(22)15-11-25(9-8-17(15)24-26)20(28)29-21(2,3)4/h5-7,10,23H,8-9,11,22H2,1-4H3 LPYKGROAZMIMAN-UHFFFAOYSA-N 551843 US11312723, Example 1 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551843&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148390880 469795734 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164792 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CCNCc2c1N InChI=1S/C16H17N5O/c1-9-7-11-10(3-2-4-13(11)19-9)16(22)21-15(17)12-8-18-6-5-14(12)20-21/h2-4,7,18-19H,5-6,8,17H2,1H3 FKMZPOAJKKGJSV-UHFFFAOYSA-N 551844 US11312723, Example 2 Coagulation factor XII 60.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551844&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147517530 469795735 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164793 CN1CCc2nn(C(=O)C3CCCc4[nH]c(Cl)cc34)c(N)c2C1 551845 US11312723, Example 3 Coagulation factor XII 350 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551845&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147553289 469795736 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164795 CCc1cc2C(CCCc2[nH]1)C(=O)n1nc2CCN(Cc2c1N)C(=O)OCc1ccccc1 551846 Benzyl 3-amino-2-(2-ethyl-4,5,6,7-tetrahydro-1H-indole-4-carbonyl)-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate and benzyl 3-amino-1-(2-ethyl-4,5,6,7-tetrahydro-1H-indole-4-carbonyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate::US11312723, Example 4 Coagulation factor XII 300 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551846&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163323 469795737 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164797 CCc1cc2C(CCCc2[nH]1)C(=O)n1nc(N)c2CN(CCc12)C(=O)OCc1ccccc1 551847 US11312723, Example 5 Coagulation factor XII >40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163319 469795738 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164798 CCc1cc2C(CCCc2[nH]1)C(=O)n1nc2CCNCc2c1N 551848 US11312723, Example 6 Coagulation factor XII 250 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551848&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153254044 469795739 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164800 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(CCc2c1N)C(=O)OC(C)(C)C InChI=1S/C21H25N5O3/c1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-18(22)14-8-9-25(11-17(14)24-26)20(28)29-21(2,3)4/h5-7,10,23H,8-9,11,22H2,1-4H3 IHLKLCIDIHLQJB-UHFFFAOYSA-N 551849 Tert-butyl 3-amino-2-(2-methyl-1H-indole-4-carbonyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate and tert-butyl 3-amino-1-(2-methyl-1H-indole-4-carbonyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate::US11312723, Example 7 Coagulation factor XII 70.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163303 469795740 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164802 Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc12)C(=O)OC(C)(C)C InChI=1S/C21H25N5O3/c1-12-10-15-13(6-5-7-16(15)23-12)19(27)26-17-11-25(20(28)29-21(2,3)4)9-8-14(17)18(22)24-26/h5-7,10,23H,8-9,11H2,1-4H3,(H2,22,24) GVFPRHVKUVRFCT-UHFFFAOYSA-N 551850 US11312723, Example 8 Coagulation factor XII 50000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551850&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163376 469795741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164803 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CNCCc2c1N InChI=1S/C16H17N5O/c1-9-7-12-10(3-2-4-13(12)19-9)16(22)21-15(17)11-5-6-18-8-14(11)20-21/h2-4,7,18-19H,5-6,8,17H2,1H3 NSCOOHIWYIDUSU-UHFFFAOYSA-N 551851 US11312723, Example 9 Coagulation factor XII 150 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551851&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148683699 469795742 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164805 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(Cc3ccccc3)CCc2c1N InChI=1S/C23H23N5O/c1-15-12-19-17(8-5-9-20(19)25-15)23(29)28-22(24)18-10-11-27(14-21(18)26-28)13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14,24H2,1H3 QJMKVOPDZNNLBK-UHFFFAOYSA-N 551852 (3-amino-6-benzyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(2-methyl-1H-indol-4-yl)methanone and (3-amino-6-benzyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl)(2-methyl-1H-indol-4-yl)methanone::US11312723, Example 10 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551852&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149049276 469795743 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164806 Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc3ccccc3)Cc12 InChI=1S/C23H23N5O/c1-15-12-19-17(8-5-9-20(19)25-15)23(29)28-21-14-27(11-10-18(21)22(24)26-28)13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H2,24,26) FFJIDQSVJZVRCR-UHFFFAOYSA-N 551853 US11312723, Example 11 Coagulation factor XII 50000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551853&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 150151656 469795744 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164807 Cc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C18H23N5O3S/c1-11-3-4-15-14(9-11)12(5-7-20-15)18(24)23-17(19)13-6-8-22(27(2,25)26)10-16(13)21-23/h3-4,9,12,20H,5-8,10,19H2,1-2H3 NXICIJPRONLUNA-UHFFFAOYSA-N 551854 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone and (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl)(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 12 Coagulation factor XII 300 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551854&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148711540 469795745 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164809 Cc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C18H23N5O3S/c1-11-3-4-15-14(9-11)12(5-7-20-15)18(24)23-16-10-22(27(2,25)26)8-6-13(16)17(19)21-23/h3-4,9,12,20H,5-8,10H2,1-2H3,(H2,19,21) KTKPBZCERKVHEX-UHFFFAOYSA-N 551855 US11312723, Example 13 Coagulation factor XII >90000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551855&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148270478 469795746 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164810 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(Cl)cc13)c2N InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9,19H2,1H3 TUEJXRXRVQERAG-UHFFFAOYSA-N 551856 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone and (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl)(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 14 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551856&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163383 469795747 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164812 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc34)c2C1 InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-7-5-12-15(9-22)23(21-16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9H2,1H3,(H2,19,21) SNJVJSQDSBOPIZ-UHFFFAOYSA-N 551857 US11312723, Example 15 Coagulation factor XII >65000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 151874523 469795748 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164814 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C17H20FN5O3S/c1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9,19H2,1H3 XWCADRXAUCPOOB-UHFFFAOYSA-N 551858 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 16 Coagulation factor XII 60.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551858&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149297550 469795749 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164816 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C17H20FN5O3S/c1-27(25,26)22-7-5-12-15(9-22)23(21-16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9H2,1H3,(H2,19,21) SBILBIOMRLWHSA-UHFFFAOYSA-N 551859 US11312723, Example 17 Coagulation factor XII 30000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551859&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146817233 469795750 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164817 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccc(F)cc13)c2N InChI=1S/C17H20FN5O3S/c1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9,19H2,1H3/t11-/m0/s1 XWCADRXAUCPOOB-NSHDSACASA-N 551860 US11312723, Example 18 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551860&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149297549 469795751 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164819 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccc(F)cc13)c2N InChI=1S/C17H20FN5O3S/c1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14/h2-3,8,11,20H,4-7,9,19H2,1H3/t11-/m1/s1 XWCADRXAUCPOOB-LLVKDONJSA-N 551861 US11312723, Example 19 Coagulation factor XII 11000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551861&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149297548 469795752 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164820 CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C18H23N5O/c1-2-22-10-8-14-16(11-22)21-23(17(14)19)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11,19H2,1H3 USCOJXXCHWFEDM-UHFFFAOYSA-N 551862 (3-amino-6-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 20 Coagulation factor XII 150 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551862&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152969138 469795753 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164822 CCN1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C18H23N5O/c1-2-22-10-8-14-16(11-22)23(21-17(14)19)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11H2,1H3,(H2,19,21) MLDUUCQJKVIFTD-UHFFFAOYSA-N 551863 US11312723, Example 21 Coagulation factor XII 1500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551863&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148503741 469795754 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164824 COc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C18H23N5O4S/c1-27-11-3-4-15-14(9-11)12(5-7-20-15)18(24)23-17(19)13-6-8-22(28(2,25)26)10-16(13)21-23/h3-4,9,12,20H,5-8,10,19H2,1-2H3 RXWNGDFRBSERNG-UHFFFAOYSA-N 551864 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 22 Coagulation factor XII 1400 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551864&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146800933 469795755 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164825 COc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C18H23N5O4S/c1-27-11-3-4-15-14(9-11)12(5-7-20-15)18(24)23-16-10-22(28(2,25)26)8-6-13(16)17(19)21-23/h3-4,9,12,20H,5-8,10H2,1-2H3,(H2,19,21) JTNXKAHPYMQEFM-UHFFFAOYSA-N 551865 US11312723, Example 23 Coagulation factor XII >60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551865&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148122982 469795756 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164826 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)C(F)(F)F)c2N InChI=1S/C18H20F3N5O3S/c1-30(28,29)25-7-5-12-15(9-25)24-26(16(12)22)17(27)11-4-6-23-14-3-2-10(8-13(11)14)18(19,20)21/h2-3,8,11,23H,4-7,9,22H2,1H3 SPINKZDEDXOEMX-UHFFFAOYSA-N 551866 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 24 Coagulation factor XII 100.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551866&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152805136 469795757 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164828 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)C(F)(F)F)c2C1 InChI=1S/C18H20F3N5O3S/c1-30(28,29)25-7-5-12-15(9-25)26(24-16(12)22)17(27)11-4-6-23-14-3-2-10(8-13(11)14)18(19,20)21/h2-3,8,11,23H,4-7,9H2,1H3,(H2,22,24) HOYWIOSQHZBGGV-UHFFFAOYSA-N 551867 US11312723, Example 25 Coagulation factor XII 40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551867&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147819584 469795758 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164830 Cn1cc2CCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C17H23N5O3S/c1-20-8-11-4-3-5-12(14(11)9-20)17(23)22-16(18)13-6-7-21(26(2,24)25)10-15(13)19-22/h8-9,12H,3-7,10,18H2,1-2H3 CJEORVWTYOHIEJ-UHFFFAOYSA-N 551868 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(2-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanone::US11312723, Example 26 Coagulation factor XII 150 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551868&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147232483 469795759 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164832 Cn1cc2CCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C17H23N5O3S/c1-20-8-11-4-3-5-12(14(11)9-20)17(23)22-15-10-21(26(2,24)25)7-6-13(15)16(18)19-22/h8-9,12H,3-7,10H2,1-2H3,(H2,18,19) PIDNAJBQGDTWBR-UHFFFAOYSA-N 551869 US11312723, Example 27 Coagulation factor XII 75000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551869&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148908415 469795760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164833 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)c1ccccc1 InChI=1S/C22H22FN5O/c23-14-6-7-19-18(12-14)16(8-10-25-19)22(29)28-21(24)17-9-11-27(13-20(17)26-28)15-4-2-1-3-5-15/h1-7,12,16,25H,8-11,13,24H2 WLMQBEJVLAIDSV-UHFFFAOYSA-N 551870 (3-amino-6-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 28 Coagulation factor XII 160 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551870&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153209491 469795761 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164835 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)c1ccccc1 InChI=1S/C22H22FN5O/c23-14-6-7-19-18(12-14)16(8-10-25-19)22(29)28-20-13-27(15-4-2-1-3-5-15)11-9-17(20)21(24)26-28/h1-7,12,16,25H,8-11,13H2,(H2,24,26) DVGBUGLPBBIKQB-UHFFFAOYSA-N 551871 US11312723, Example 29 Coagulation factor XII >60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551871&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147435816 469795762 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164836 CCc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C19H25N5O3S/c1-3-12-4-5-16-15(10-12)13(6-8-21-16)19(25)24-18(20)14-7-9-23(28(2,26)27)11-17(14)22-24/h4-5,10,13,21H,3,6-9,11,20H2,1-2H3 OHMDLPSPZVSXFF-UHFFFAOYSA-N 551872 & 32 & 33: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 30 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551872&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148765991 469795763 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164838 CCc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C19H25N5O3S/c1-3-12-4-5-16-15(10-12)13(6-8-21-16)19(25)24-17-11-23(28(2,26)27)9-7-14(17)18(20)22-24/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H2,20,22) LBSDTNGERQTEKR-UHFFFAOYSA-N 551873 & 32 & 33: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 31 Coagulation factor XII 40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551873&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148314495 469795764 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164839 CCc1ccc2NCC[C@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C19H25N5O3S/c1-3-12-4-5-16-15(10-12)13(6-8-21-16)19(25)24-18(20)14-7-9-23(28(2,26)27)11-17(14)22-24/h4-5,10,13,21H,3,6-9,11,20H2,1-2H3/t13-/m0/s1 OHMDLPSPZVSXFF-ZDUSSCGKSA-N 551874 US11312723, Example 32 Coagulation factor XII 20.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551874&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163346 469795765 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164840 CCc1ccc2NCC[C@@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C19H25N5O3S/c1-3-12-4-5-16-15(10-12)13(6-8-21-16)19(25)24-18(20)14-7-9-23(28(2,26)27)11-17(14)22-24/h4-5,10,13,21H,3,6-9,11,20H2,1-2H3/t13-/m1/s1 OHMDLPSPZVSXFF-CYBMUJFWSA-N 551875 US11312723, Example 33 Coagulation factor XII 10000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551875&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163356 469795766 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164841 Cc1cccc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O3S/c1-11-4-3-5-12-13(6-8-20-16(11)12)18(24)23-17(19)14-7-9-22(27(2,25)26)10-15(14)21-23/h3-5,13,20H,6-10,19H2,1-2H3 HTCSUCDYUISMCG-UHFFFAOYSA-N 551876 & 36: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-2-yl)(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 34 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551876&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147841832 469795767 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164843 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O3S/c1-11-4-3-5-12-13(6-8-20-16(11)12)18(24)23-17(19)14-7-9-22(27(2,25)26)10-15(14)21-23/h3-5,13,20H,6-10,19H2,1-2H3/t13-/m0/s1 HTCSUCDYUISMCG-ZDUSSCGKSA-N 551877 & 36: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-2-yl)(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 35 Coagulation factor XII 20.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551877&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163415 469795768 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164845 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O3S/c1-11-4-3-5-12-13(6-8-20-16(11)12)18(24)23-17(19)14-7-9-22(27(2,25)26)10-15(14)21-23/h3-5,13,20H,6-10,19H2,1-2H3/t13-/m1/s1 HTCSUCDYUISMCG-CYBMUJFWSA-N 551878 US11312723, Example 36 Coagulation factor XII 17000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551878&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163367 469795769 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164846 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3c(F)cccc13)c2N InChI=1S/C17H20FN5O3S/c1-27(25,26)22-8-6-12-14(9-22)21-23(16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9,19H2,1H3 PBGBNTJUCYSZTO-UHFFFAOYSA-N 551879 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 37 Coagulation factor XII 100.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551879&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148871378 469795770 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164848 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(F)cccc34)c2C1 InChI=1S/C17H20FN5O3S/c1-27(25,26)22-8-6-12-14(9-22)23(21-16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9H2,1H3,(H2,19,21) FXJFKLXRZXZDQA-UHFFFAOYSA-N 551880 US11312723, Example 38 Coagulation factor XII 70000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551880&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147586129 469795771 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164849 CC1(C)CC(C(=O)n2nc3CN(CCc3c2N)S(C)(=O)=O)c2ccccc2N1 InChI=1S/C19H25N5O3S/c1-19(2)10-14(12-6-4-5-7-15(12)21-19)18(25)24-17(20)13-8-9-23(28(3,26)27)11-16(13)22-24/h4-7,14,21H,8-11,20H2,1-3H3 SHZCWYZJVONKFR-UHFFFAOYSA-N 551881 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(2,2-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 39 Coagulation factor XII 150 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551881&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146849224 469795772 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164851 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ncccc13)c2N InChI=1S/C16H20N6O3S/c1-26(24,25)21-8-5-12-13(9-21)20-22(14(12)17)16(23)11-4-7-19-15-10(11)3-2-6-18-15/h2-3,6,11H,4-5,7-9,17H2,1H3,(H,18,19) IAOQELCVOJALMZ-UHFFFAOYSA-N 551882 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)methanone::US11312723, Example 41 Coagulation factor XII 1700 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551882&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147881802 469795773 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164853 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ncccc34)c2C1 InChI=1S/C16H20N6O3S/c1-26(24,25)21-8-5-12-13(9-21)22(20-14(12)17)16(23)11-4-7-19-15-10(11)3-2-6-18-15/h2-3,6,11H,4-5,7-9H2,1H3,(H2,17,20)(H,18,19) RYVWGZCUNOBKDC-UHFFFAOYSA-N 551883 US11312723, Example 42 Coagulation factor XII >80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551883&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146805015 469795774 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164854 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CC(=O)Nc3ccc(F)cc13)c2N InChI=1S/C17H18FN5O4S/c1-28(26,27)22-5-4-10-14(8-22)21-23(16(10)19)17(25)12-7-15(24)20-13-3-2-9(18)6-11(12)13/h2-3,6,12H,4-5,7-8,19H2,1H3,(H,20,24) JLMGKQDKNCHMBB-UHFFFAOYSA-N 551884 4-(3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-2-carbonyl)-6-fluoro-3,4-dihydroquinolin-2(1H)-one::US11312723, Example 43 Coagulation factor XII 4000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551884&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148078383 469795775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164855 CC(C)c1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-12(2)13-4-5-17-16(10-13)14(6-8-22-17)20(26)25-19(21)15-7-9-24(29(3,27)28)11-18(15)23-25/h4-5,10,12,14,22H,6-9,11,21H2,1-3H3 SYBODYDXBHCADD-UHFFFAOYSA-N 551885 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-isopropyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 45 Coagulation factor XII 2200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551885&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152837870 469795776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164857 CC(C)c1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-12(2)13-4-5-17-16(10-13)14(6-8-22-17)20(26)25-18-11-24(29(3,27)28)9-7-15(18)19(21)23-25/h4-5,10,12,14,22H,6-9,11H2,1-3H3,(H2,21,23) SDPPHXXJFDNRSQ-UHFFFAOYSA-N 551886 US11312723, Example 46 Coagulation factor XII >80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551886&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146828876 469795777 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164858 CC(=O)Nc1ccc2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C19H24N6O4S/c1-11(26)22-12-3-4-16-15(9-12)13(5-7-21-16)19(27)25-18(20)14-6-8-24(30(2,28)29)10-17(14)23-25/h3-4,9,13,21H,5-8,10,20H2,1-2H3,(H,22,26) YXADALZFVYDMRE-UHFFFAOYSA-N 551887 N-(4-(3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl)acetamide::US11312723, Example 47 Coagulation factor XII 8500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551887&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149447756 469795778 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164859 CC(=O)Nc1ccc2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C19H24N6O4S/c1-11(26)22-12-3-4-16-15(9-12)13(5-7-21-16)19(27)25-17-10-24(30(2,28)29)8-6-14(17)18(20)23-25/h3-4,9,13,21H,5-8,10H2,1-2H3,(H2,20,23)(H,22,26) HJHZJABTQVMFSW-UHFFFAOYSA-N 551888 US11312723, Example 48 Coagulation factor XII >30000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551888&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147789351 469795779 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164860 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)-c1ccccc1)c2N InChI=1S/C23H25N5O3S/c1-32(30,31)27-12-10-18-21(14-27)26-28(22(18)24)23(29)17-9-11-25-20-8-7-16(13-19(17)20)15-5-3-2-4-6-15/h2-8,13,17,25H,9-12,14,24H2,1H3 TVILCJBOXIYLSK-UHFFFAOYSA-N 551889 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 49 Coagulation factor XII 11000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551889&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146893907 469795780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164862 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)-c3ccccc3)c2C1 InChI=1S/C23H25N5O3S/c1-32(30,31)27-12-10-18-21(14-27)28(26-22(18)24)23(29)17-9-11-25-20-8-7-16(13-19(17)20)15-5-3-2-4-6-15/h2-8,13,17,25H,9-12,14H2,1H3,(H2,24,26) QQARPEDNHHBOQS-UHFFFAOYSA-N 551890 US11312723, Example 50 Coagulation factor XII >80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551890&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146698000 469795781 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164863 Cc1cc(F)cc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H22FN5O3S/c1-10-7-11(19)8-14-12(3-5-21-16(10)14)18(25)24-17(20)13-4-6-23(28(2,26)27)9-15(13)22-24/h7-8,12,21H,3-6,9,20H2,1-2H3 TYDZTFFITPOAIC-UHFFFAOYSA-N 551891 & 53 & 54: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 51 Coagulation factor XII 20.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551891&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163279 469795782 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164865 Cc1cc(F)cc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O InChI=1S/C18H22FN5O3S/c1-10-7-11(19)8-14-12(3-5-21-16(10)14)18(25)24-15-9-23(28(2,26)27)6-4-13(15)17(20)22-24/h7-8,12,21H,3-6,9H2,1-2H3,(H2,20,22) JVZOUCHVUHTXQB-UHFFFAOYSA-N 551892 & 53 & 54: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 52 Coagulation factor XII 32000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551892&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163332 469795783 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164866 Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H22FN5O3S/c1-10-7-11(19)8-14-12(3-5-21-16(10)14)18(25)24-17(20)13-4-6-23(28(2,26)27)9-15(13)22-24/h7-8,12,21H,3-6,9,20H2,1-2H3/t12-/m0/s1 TYDZTFFITPOAIC-LBPRGKRZSA-N 551893 US11312723, Example 53 Coagulation factor XII 10.00 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551893&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163298 469795784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164868 Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H22FN5O3S/c1-10-7-11(19)8-14-12(3-5-21-16(10)14)18(25)24-17(20)13-4-6-23(28(2,26)27)9-15(13)22-24/h7-8,12,21H,3-6,9,20H2,1-2H3/t12-/m1/s1 TYDZTFFITPOAIC-GFCCVEGCSA-N 551894 US11312723, Example 54 Coagulation factor XII 2500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551894&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163292 469795785 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164869 CCc1cc(C)c2NCCC(C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-4-13-9-12(2)18-16(10-13)14(5-7-22-18)20(26)25-19(21)15-6-8-24(29(3,27)28)11-17(15)23-25/h9-10,14,22H,4-8,11,21H2,1-3H3 PONHZIIANACDEL-UHFFFAOYSA-N 551895 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(6-ethyl-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 55 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551895&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146685613 469795786 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164871 CCc1cc(C)c2NCCC(C(=O)n3nc(N)c4CCN(Cc34)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-4-13-9-12(2)18-16(10-13)14(5-7-22-18)20(26)25-17-11-24(29(3,27)28)8-6-15(17)19(21)23-25/h9-10,14,22H,4-8,11H2,1-3H3,(H2,21,23) PWHZAKJDYDYBCR-UHFFFAOYSA-N 551896 US11312723, Example 56 Coagulation factor XII >65000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551896&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148984070 469795787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164872 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3c(Cl)cccc13)c2N InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-8-6-12-14(9-22)21-23(16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9,19H2,1H3 FXDAGAYQHYWILW-UHFFFAOYSA-N 551897 & 59 & 60: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 57::US11312723, Example 59 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551897&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147584796 469795788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164874 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(Cl)cccc34)c2C1 InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-8-6-12-14(9-22)23(21-16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9H2,1H3,(H2,19,21) XWMVYVKWXLCPDT-UHFFFAOYSA-N 551898 & 59 & 60: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 58 Coagulation factor XII 60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551898&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149299722 469795789 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164875 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3c(Cl)cccc13)c2N InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-8-6-12-14(9-22)21-23(16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9,19H2,1H3 FXDAGAYQHYWILW-UHFFFAOYSA-N 551897 & 59 & 60: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 57::US11312723, Example 59 Coagulation factor XII 35000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551897&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147584796 469795788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164876 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(Cl)cccc13)c2N InChI=1S/C17H20ClN5O3S/c1-27(25,26)22-8-6-12-14(9-22)21-23(16(12)19)17(24)11-5-7-20-15-10(11)3-2-4-13(15)18/h2-4,11,20H,5-9,19H2,1H3/t11-/m0/s1 FXDAGAYQHYWILW-NSHDSACASA-N 551900 US11312723, Example 60 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551900&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163369 469795790 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164878 COc1cccc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-17(19)13-7-9-22(28(2,25)26)10-14(13)21-23/h3-5,12,20H,6-10,19H2,1-2H3 VENDHXBGIRNKHA-UHFFFAOYSA-N 551901 & 63 & 64: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 61::US11312723, Example 64 Coagulation factor XII 100.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551901&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163275 469795791 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164880 COc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O InChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21) KHADBRGQACDTPI-UHFFFAOYSA-N 551902 & 63 & 64: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 62 Coagulation factor XII >65000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551902&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163300 469795792 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164881 COc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-17(19)13-7-9-22(28(2,25)26)10-14(13)21-23/h3-5,12,20H,6-10,19H2,1-2H3/t12-/m0/s1 VENDHXBGIRNKHA-LBPRGKRZSA-N 551903 US11312723, Example 63 Coagulation factor XII 140 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551903&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163286 469795793 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164883 COc1cccc2C(CCNc12)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-17(19)13-7-9-22(28(2,25)26)10-14(13)21-23/h3-5,12,20H,6-10,19H2,1-2H3 VENDHXBGIRNKHA-UHFFFAOYSA-N 551901 & 63 & 64: (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 61::US11312723, Example 64 Coagulation factor XII 35000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551901&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163275 469795791 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164884 CCc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O InChI=1S/C19H25N5O3S/c1-3-12-5-4-6-13-14(7-9-21-17(12)13)19(25)24-16-11-23(28(2,26)27)10-8-15(16)18(20)22-24/h4-6,14,21H,3,7-11H2,1-2H3,(H2,20,22) HOWHRPFUMVOEQQ-UHFFFAOYSA-N 551905 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 65::US11312723, Example 66 Coagulation factor XII 90.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551905&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147819018 469795794 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164885 CCc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O InChI=1S/C19H25N5O3S/c1-3-12-5-4-6-13-14(7-9-21-17(12)13)19(25)24-16-11-23(28(2,26)27)10-8-15(16)18(20)22-24/h4-6,14,21H,3,7-11H2,1-2H3,(H2,20,22) HOWHRPFUMVOEQQ-UHFFFAOYSA-N 551905 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 65::US11312723, Example 66 Coagulation factor XII >100000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551905&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147819018 469795794 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164886 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c3cccc4C(F)(F)F)c2C1 InChI=1S/C18H20F3N5O3S/c1-30(28,29)25-8-6-12-14(9-25)26(24-16(12)22)17(27)11-5-7-23-15-10(11)3-2-4-13(15)18(19,20)21/h2-4,11,23H,5-9H2,1H3,(H2,22,24) WPRRIZXPHGBQTD-UHFFFAOYSA-N 551907 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 67::US11312723, Example 68 Coagulation factor XII 150 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551907&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153231721 469795795 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164888 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c3cccc4C(F)(F)F)c2C1 InChI=1S/C18H20F3N5O3S/c1-30(28,29)25-8-6-12-14(9-25)26(24-16(12)22)17(27)11-5-7-23-15-10(11)3-2-4-13(15)18(19,20)21/h2-4,11,23H,5-9H2,1H3,(H2,22,24) WPRRIZXPHGBQTD-UHFFFAOYSA-N 551907 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 67::US11312723, Example 68 Coagulation factor XII >90000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551907&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153231721 469795795 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164889 CCc1cc(C)c2NCC[C@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-4-13-9-12(2)18-16(10-13)14(5-7-22-18)20(26)25-19(21)15-6-8-24(29(3,27)28)11-17(15)23-25/h9-10,14,22H,4-8,11,21H2,1-3H3/t14-/m0/s1 PONHZIIANACDEL-AWEZNQCLSA-N 551909 (3-amino-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)((S*)-6-ethyl-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 69 Coagulation factor XII 10.00 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551909&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163277 469795796 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164891 CCc1cc(C)c2NCC[C@@H](C(=O)n3nc4CN(CCc4c3N)S(C)(=O)=O)c2c1 InChI=1S/C20H27N5O3S/c1-4-13-9-12(2)18-16(10-13)14(5-7-22-18)20(26)25-19(21)15-6-8-24(29(3,27)28)11-17(15)23-25/h9-10,14,22H,4-8,11,21H2,1-3H3/t14-/m1/s1 PONHZIIANACDEL-CQSZACIVSA-N 551910 US11312723, Example 70 Coagulation factor XII 5000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551910&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163412 469795797 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164892 Nc1nn(C(=O)C2CCNc3c(Cl)cccc23)c2CNCCc12 InChI=1S/C16H18ClN5O/c17-12-3-1-2-9-10(5-7-20-14(9)12)16(23)22-13-8-19-6-4-11(13)15(18)21-22/h1-3,10,19-20H,4-8H2,(H2,18,21) PXBXVTVZSHSDHR-UHFFFAOYSA-N 551911 & 73: (3-amino-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl)(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 71 Coagulation factor XII 5000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551911&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148987716 469795798 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164893 Nc1nn(C(=O)[C@H]2CCNc3c(Cl)cccc23)c2CNCCc12 InChI=1S/C16H18ClN5O/c17-12-3-1-2-9-10(5-7-20-14(9)12)16(23)22-13-8-19-6-4-11(13)15(18)21-22/h1-3,10,19-20H,4-8H2,(H2,18,21)/t10-/m0/s1 PXBXVTVZSHSDHR-JTQLQIEISA-N 551912 & 73: (3-amino-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-1-yl)(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 72 Coagulation factor XII 70.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551912&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 164607538 469795799 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164894 Nc1nn(C(=O)[C@@H]2CCNc3c(Cl)cccc23)c2CNCCc12 InChI=1S/C16H18ClN5O/c17-12-3-1-2-9-10(5-7-20-14(9)12)16(23)22-13-8-19-6-4-11(13)15(18)21-22/h1-3,10,19-20H,4-8H2,(H2,18,21)/t10-/m1/s1 PXBXVTVZSHSDHR-SNVBAGLBSA-N 551913 US11312723, Example 73 Coagulation factor XII 7000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551913&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 164607539 469795800 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164895 Nc1c2COCCc2nn1C(=O)C1CCNc2ccc(F)cc12 InChI=1S/C16H17FN4O2/c17-9-1-2-13-11(7-9)10(3-5-19-13)16(22)21-15(18)12-8-23-6-4-14(12)20-21/h1-2,7,10,19H,3-6,8,18H2 RCGTZUXOELYXAD-UHFFFAOYSA-N 551914 (3-amino-6,7-dihydropyrano[4,3-c]pyrazol-2(4H)-yl)(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 74 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551914&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146712742 469795801 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164897 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CCOCc12 InChI=1S/C16H17FN4O2/c17-9-1-2-13-11(7-9)10(3-5-19-13)16(22)21-14-4-6-23-8-12(14)15(18)20-21/h1-2,7,10,19H,3-6,8H2,(H2,18,20) DISHGFUUSLGEPG-UHFFFAOYSA-N 551915 US11312723, Example 75 Coagulation factor XII 25000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551915&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147368932 469795802 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164898 Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2COCCc2c1N InChI=1S/C17H19FN4O2/c1-9-6-10(18)7-13-11(2-4-20-15(9)13)17(23)22-16(19)12-3-5-24-8-14(12)21-22/h6-7,11,20H,2-5,8,19H2,1H3/t11-/m0/s1 VWXBJACPADKYAM-NSHDSACASA-N 551916 (S*)-(3-amino-4,5-dihydropyrano[3,4-c]pyrazol-2(7H)-yl)(6-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 76 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551916&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163264 469795803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164900 Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2COCCc2c1N InChI=1S/C17H19FN4O2/c1-9-6-10(18)7-13-11(2-4-20-15(9)13)17(23)22-16(19)12-3-5-24-8-14(12)21-22/h6-7,11,20H,2-5,8,19H2,1H3/t11-/m1/s1 VWXBJACPADKYAM-LLVKDONJSA-N 551917 US11312723, Example 77 Coagulation factor XII 70000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551917&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163293 469795804 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164901 CC1N(CCc2c(N)n(nc12)C(=O)C1CCNc2c(C)cccc12)S(C)(=O)=O InChI=1S/C19H25N5O3S/c1-11-5-4-6-13-14(7-9-21-16(11)13)19(25)24-18(20)15-8-10-23(28(3,26)27)12(2)17(15)22-24/h4-6,12,14,21H,7-10,20H2,1-3H3 HTPQUXPACGFSBF-UHFFFAOYSA-N 551918 (3-amino-7-methyl-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone diastereomer A::US11312723, Example 78::US11312723, Example 79 Coagulation factor XII >80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551918&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147844475 469795805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164902 CC1N(CCc2c(N)n(nc12)C(=O)C1CCNc2c(C)cccc12)S(C)(=O)=O InChI=1S/C19H25N5O3S/c1-11-5-4-6-13-14(7-9-21-16(11)13)19(25)24-18(20)15-8-10-23(28(3,26)27)12(2)17(15)22-24/h4-6,12,14,21H,7-10,20H2,1-3H3 HTPQUXPACGFSBF-UHFFFAOYSA-N 551918 (3-amino-7-methyl-6-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone diastereomer A::US11312723, Example 78::US11312723, Example 79 Coagulation factor XII 3000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551918&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147844475 469795805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164903 Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CCNCc2c1N InChI=1S/C17H20FN5O/c1-9-6-10(18)7-12-11(2-5-21-15(9)12)17(24)23-16(19)13-8-20-4-3-14(13)22-23/h6-7,11,20-21H,2-5,8,19H2,1H3/t11-/m0/s1 PLWNMYAAKIFQOT-NSHDSACASA-N 551920 (S*)-(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)(6-fluoro-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone::US11312723, Example 82 Coagulation factor XII 70.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551920&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155163304 469795806 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164904 CN1CCc2nn(C(=O)c3cccc4[nH]c(C)cc34)c(N)c2C1 InChI=1S/C17H19N5O/c1-10-8-12-11(4-3-5-14(12)19-10)17(23)22-16(18)13-9-21(2)7-6-15(13)20-22/h3-5,8,19H,6-7,9,18H2,1-2H3 XOWJGMYCCKCBLC-UHFFFAOYSA-N 551921 (3-amino-5- methyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-2- yl)(2-methyl- 1H-indol-4- yl)methanone::US11312723, Example 85 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551921&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149258992 469795807 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164906 CN1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C17H21N5O/c1-21-9-7-15-13(10-21)16(18)22(20-15)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10,18H2,1H3 SYQGDYUVBXUMRU-UHFFFAOYSA-N 551922 (3-amino-5- methyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 86 Coagulation factor XII 1250 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551922&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152840495 469795808 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164907 COC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C18H21N5O3/c1-26-18(25)22-9-7-15-13(10-22)16(19)23(21-15)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,20H,6-10,19H2,1H3 DECRNXFJLJALHT-UHFFFAOYSA-N 551923 US11312723, Example 87::methyl 3-amino- 2-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 6,7-dihydro-2H- pyrazolo[4,3- c]pyridine- 5(4H)- carboxylate Coagulation factor XII 800 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551923&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147344276 469795809 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164909 COC(=O)N1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12 InChI=1S/C18H21N5O3/c1-26-18(25)22-9-7-15-13(10-22)16(19)21-23(15)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,20H,6-10H2,1H3,(H2,19,21) FASMVIXJPPMVMY-UHFFFAOYSA-N 551924 US11312723, Example 88::methyl 3-amino- 1-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 6,7-dihydro-1H- pyrazolo[4,3- c]pyridine- 5(4H)- carboxylate Coagulation factor XII 80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551924&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316126 469795810 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164910 CNC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C18H22N6O2/c1-20-18(26)23-9-7-15-13(10-23)16(19)24(22-15)17(25)12-6-8-21-14-5-3-2-4-11(12)14/h2-5,12,21H,6-10,19H2,1H3,(H,20,26) PNLFHSDPSSXZMZ-UHFFFAOYSA-N 551925 3-amino-N- methyl-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 6,7-dihydro-2H- pyrazolo[4,3- c]pyridine- 5(4H)- carboxamide::US11312723, Example 89 Coagulation factor XII 800 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551925&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316147 469795811 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164912 CNC(=O)N1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12 InChI=1S/C18H22N6O2/c1-20-18(26)23-9-7-15-13(10-23)16(19)22-24(15)17(25)12-6-8-21-14-5-3-2-4-11(12)14/h2-5,12,21H,6-10H2,1H3,(H2,19,22)(H,20,26) TTZFDVKMSXNGQD-UHFFFAOYSA-N 551926 3-amino-N- methyl-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 6,7-dihydro-1H- pyrazolo[4,3- c]pyridine- 5(4H)- carboxamide::US11312723, Example 90 Coagulation factor XII 1500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551926&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316169 469795812 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164914 CS(=O)(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C17H21N5O3S/c1-26(24,25)21-9-7-15-13(10-21)16(18)22(20-15)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10,18H2,1H3 WLDNRHLRDGAFKA-UHFFFAOYSA-N 551927 (3-amino-5- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 91 Coagulation factor XII 1500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551927&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153207642 469795813 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164916 CCN1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C18H23N5O/c1-2-22-10-8-16-14(11-22)17(19)23(21-16)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11,19H2,1H3 LJXRXDJQGRXZFW-UHFFFAOYSA-N 551928 (3-amino-5- ethyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 93 Coagulation factor XII 1300 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551928&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148358696 469795814 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164918 CCN1CCc2c(C1)c(N)nn2C(=O)C1CCNc2ccccc12 InChI=1S/C18H23N5O/c1-2-22-10-8-16-14(11-22)17(19)21-23(16)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11H2,1H3,(H2,19,21) YOKTXYRRJCRAAW-UHFFFAOYSA-N 551929 (3-amino-5- ethyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-1- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 94 Coagulation factor XII >50000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551929&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149395805 469795815 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164920 CC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc34)c(N)c2C1 InChI=1S/C18H21N5O2/c1-11(24)22-9-7-16-14(10-22)17(19)23(21-16)18(25)13-6-8-20-15-5-3-2-4-12(13)15/h2-5,13,20H,6-10,19H2,1H3 RYRKADUXSJGUIX-UHFFFAOYSA-N 551930 1-(3-amino-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 6,7-dihydro-2H- pyrazolo[4,3- c]pyridin-5(4H)- yl)ethanone::US11312723, Example 95 Coagulation factor XII 700 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551930&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152786687 469795816 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164922 CN1CCc2nn(C(=O)C3CCCc4[nH]ccc34)c(N)c2C1 551931 (3-amino-5- methyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-2- yl)(4,5,6,7- tetrahydro-1H- indol-4- yl)methanone::US11312723, Example 97 Coagulation factor XII 8500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551931&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147369918 469795817 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164924 CN1CCc2c(C1)c(N)nn2C(=O)C1CCCc2[nH]ccc12 551932 (3-amino-5- methyl-4,5,6,7- tetrahydro- pyrazolo[4,3- c]pyridin-1- yl)(4,5,6,7- tetrahydro-1H- indol-4- yl)methanone::US11312723, Example 98 Coagulation factor XII 20000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551932&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148203202 469795818 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164926 CC(=O)N1CCc2c(C1)nn(C(=O)c1cccc3[nH]c(C)cc13)c2N InChI=1S/C18H19N5O2/c1-10-8-14-12(4-3-5-15(14)20-10)18(25)23-17(19)13-6-7-22(11(2)24)9-16(13)21-23/h3-5,8,20H,6-7,9,19H2,1-2H3 VLGUBEADTUAFOJ-UHFFFAOYSA-N 551933 1-(3-amino-2- (2-methyl-1H- indole-4- carbonyl)-4,5- dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)ethanone::US11312723, Example 99 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551933&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153070582 469795819 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164928 Cc1cc2c(cccc2[nH]1)C(=O)n1nc2CN(CCc2c1N)S(C)(=O)=O InChI=1S/C17H19N5O3S/c1-10-8-13-11(4-3-5-14(13)19-10)17(23)22-16(18)12-6-7-21(26(2,24)25)9-15(12)20-22/h3-5,8,19H,6-7,9,18H2,1-2H3 KZOFMGZWOWKYMK-UHFFFAOYSA-N 551934 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(2-methyl- 1H-indol-4- yl)methanone::US11312723, Example 101 Coagulation factor XII 20.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551934&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148303124 469795820 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164930 Cc1cc2c(cccc2[nH]1)C(=O)n1nc(N)c2CCN(Cc12)S(C)(=O)=O InChI=1S/C17H19N5O3S/c1-10-8-13-11(4-3-5-14(13)19-10)17(23)22-15-9-21(26(2,24)25)7-6-12(15)16(18)20-22/h3-5,8,19H,6-7,9H2,1-2H3,(H2,18,20) CHOAZMHDHSTFQN-UHFFFAOYSA-N 551935 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(2-methyl- 1H-indol-4- yl)methanone::US11312723, Example 102 Coagulation factor XII 1200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551935&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316131 469795821 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164931 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C17H21N5O3S/c1-26(24,25)21-9-7-13-15(10-21)20-22(16(13)18)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10,18H2,1H3 IPIZXXQYPIZSIZ-UHFFFAOYSA-N 551936 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 103 Coagulation factor XII 350 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551936&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147960348 469795822 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164933 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C17H21N5O3S/c1-26(24,25)21-9-7-13-15(10-21)22(20-16(13)18)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10H2,1H3,(H2,18,20) ROWWPUAKOVXRPV-UHFFFAOYSA-N 551937 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 104 Coagulation factor XII 80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551937&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316104 469795823 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164935 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)S(=O)(=O)c1ccccc1 InChI=1S/C22H23N5O3S/c23-21-18-11-13-26(31(29,30)15-6-2-1-3-7-15)14-20(18)25-27(21)22(28)17-10-12-24-19-9-5-4-8-16(17)19/h1-9,17,24H,10-14,23H2 WRBFJWZINIIWPY-UHFFFAOYSA-N 551938 (3-amino-6- (phenylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 105 Coagulation factor XII 1000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551938&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316132 469795824 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164937 Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)S(=O)(=O)c1ccccc1 InChI=1S/C22H23N5O3S/c23-21-18-11-13-26(31(29,30)15-6-2-1-3-7-15)14-20(18)27(25-21)22(28)17-10-12-24-19-9-5-4-8-16(17)19/h1-9,17,24H,10-14H2,(H2,23,25) ZIRPGQOVNGKEOD-UHFFFAOYSA-N 551939 (3-amino-6- (phenylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 106 Coagulation factor XII 50000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551939&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316124 469795825 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164939 CC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C18H21N5O2/c1-11(24)22-9-7-14-16(10-22)21-23(17(14)19)18(25)13-6-8-20-15-5-3-2-4-12(13)15/h2-5,13,20H,6-10,19H2,1H3 QRKDDGBNMCNPBY-UHFFFAOYSA-N 551940 1-(3-amino-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)ethanone::US11312723, Example 107 Coagulation factor XII 1800 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551940&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155330726 469795826 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164941 CC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C18H21N5O2/c1-11(24)22-9-7-14-16(10-22)23(21-17(14)19)18(25)13-6-8-20-15-5-3-2-4-12(13)15/h2-5,13,20H,6-10H2,1H3,(H2,19,21) UJQYNYBAOYRBKD-UHFFFAOYSA-N 551941 1-(3-amino-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridin-6(7H)- yl)ethanone::US11312723, Example 108 Coagulation factor XII 80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551941&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155330677 469795827 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164943 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)C(=O)c1ccccc1 InChI=1S/C23H23N5O2/c24-21-18-11-13-27(22(29)15-6-2-1-3-7-15)14-20(18)26-28(21)23(30)17-10-12-25-19-9-5-4-8-16(17)19/h1-9,17,25H,10-14,24H2 OBXXRAYHNLJUQY-UHFFFAOYSA-N 551942 (3-amino-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)(phenyl)- methanone::US11312723, Example 109 Coagulation factor XII 800 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551942&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148736161 469795828 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164945 Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)C(=O)c1ccccc1 InChI=1S/C23H23N5O2/c24-21-18-11-13-27(22(29)15-6-2-1-3-7-15)14-20(18)28(26-21)23(30)17-10-12-25-19-9-5-4-8-16(17)19/h1-9,17,25H,10-14H2,(H2,24,26) QCZPZIPGLJOMRK-UHFFFAOYSA-N 551943 (3-amino-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridin-6(7H)- yl)(phenyl)- methanone::US11312723, Example 110 Coagulation factor XII 60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551943&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149018451 469795829 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164947 CNS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C17H22N6O3S/c1-19-27(25,26)22-9-7-13-15(10-22)21-23(16(13)18)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,19-20H,6-10,18H2,1H3 OJHYULDHFKPDSI-UHFFFAOYSA-N 551944 3-amino-N- methyl-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine- 6(7H)- sulfonamide::US11312723, Example 111 Coagulation factor XII 2000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551944&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148775770 469795830 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164949 CNS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C17H22N6O3S/c1-19-27(25,26)22-9-7-13-15(10-22)23(21-16(13)18)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,19-20H,6-10H2,1H3,(H2,18,21) FKCHMICMAOISIC-UHFFFAOYSA-N 551945 3-amino-N- methyl-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridine- 6(7H)- sulfonamide::US11312723, Example 112 Coagulation factor XII >70000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551945&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316151 469795831 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164951 CNC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C18H22N6O2/c1-20-18(26)23-9-7-13-15(10-23)24(22-16(13)19)17(25)12-6-8-21-14-5-3-2-4-11(12)14/h2-5,12,21H,6-10H2,1H3,(H2,19,22)(H,20,26) IRWSOJJHMJWWTP-UHFFFAOYSA-N 551946 3-amino-N- methyl-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxamide::US11312723, Example 113 Coagulation factor XII 95000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551946&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316390 469795832 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164953 COC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C18H21N5O3/c1-26-18(25)22-9-7-13-15(10-22)21-23(16(13)19)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,20H,6-10,19H2,1H3 PGWLXGHQPXCGAD-UHFFFAOYSA-N 551947 US11312723, Example 114::methyl 3-amino- 2-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxylate Coagulation factor XII 450 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551947&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316226 469795833 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164955 COC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C18H21N5O3/c1-26-18(25)22-9-7-13-15(10-22)23(21-16(13)19)17(24)12-6-8-20-14-5-3-2-4-11(12)14/h2-5,12,20H,6-10H2,1H3,(H2,19,21) ZJGOMBRCFHSPJH-UHFFFAOYSA-N 551948 US11312723, Example 115::methyl 3-amino- 1-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxylate Coagulation factor XII 30000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551948&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149513293 469795834 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164956 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccccc12)C(=O)OCc1ccccc1 InChI=1S/C24H25N5O3/c25-22-19-11-13-28(24(31)32-15-16-6-2-1-3-7-16)14-21(19)27-29(22)23(30)18-10-12-26-20-9-5-4-8-17(18)20/h1-9,18,26H,10-15,25H2 HMUOHKZKEGEALV-UHFFFAOYSA-N 551949 US11312723, Example 116::benzyl 3-amino- 2-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxylate Coagulation factor XII 1000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551949&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147807979 469795835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164958 Nc1nn(C(=O)C2CCNc3ccccc23)c2CN(CCc12)C(=O)OCc1ccccc1 InChI=1S/C24H25N5O3/c25-22-19-11-13-28(24(31)32-15-16-6-2-1-3-7-16)14-21(19)29(27-22)23(30)18-10-12-26-20-9-5-4-8-17(18)20/h1-9,18,26H,10-15H2,(H2,25,27) FAJNLUJGBBCROW-UHFFFAOYSA-N 551950 US11312723, Example 117::benzyl 3-amino- 1-(1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxylate Coagulation factor XII 45000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551950&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147463535 469795836 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164960 Nc1c2CCNCc2nn1C(=O)C1CCNc2ccccc12 InChI=1S/C16H19N5O/c17-15-12-5-7-18-9-14(12)20-21(15)16(22)11-6-8-19-13-4-2-1-3-10(11)13/h1-4,11,18-19H,5-9,17H2 KZSJXASCYFBPAJ-UHFFFAOYSA-N 551951 (3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 118 Coagulation factor XII 600 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551951&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148303933 469795837 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164962 CCC(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C19H23N5O2/c1-2-17(25)23-10-8-14-16(11-23)22-24(18(14)20)19(26)13-7-9-21-15-6-4-3-5-12(13)15/h3-6,13,21H,2,7-11,20H2,1H3 LUNPHGMLNIXEHP-UHFFFAOYSA-N 551952 1-(3-amino-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)propan-1-one::US11312723, Example 119 Coagulation factor XII 450 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551952&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148415457 469795838 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164964 CCC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C19H23N5O2/c1-2-17(25)23-10-8-14-16(11-23)24(22-18(14)20)19(26)13-7-9-21-15-6-4-3-5-12(13)15/h3-6,13,21H,2,7-11H2,1H3,(H2,20,22) JJVUMSKHHYLWHE-UHFFFAOYSA-N 551953 1-(3-amino-1- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-1H- pyrazolo[3,4- c]pyridin-6(7H)- yl)propan-1-one::US11312723, Example 120 Coagulation factor XII 15000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551953&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316103 469795839 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164966 CC(C)C(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C20H25N5O2/c1-12(2)19(26)24-10-8-15-17(11-24)23-25(18(15)21)20(27)14-7-9-22-16-6-4-3-5-13(14)16/h3-6,12,14,22H,7-11,21H2,1-2H3 LFCXZDLQLKBHCH-UHFFFAOYSA-N 551954 1-(3-amino-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridin-6(7H)- yl)-2- methylpropan-1-::US11312723, Example 121 Coagulation factor XII 400 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551954&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148332790 469795840 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164968 CN(C)C(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C19H24N6O2/c1-23(2)19(27)24-10-8-14-16(11-24)22-25(17(14)20)18(26)13-7-9-21-15-6-4-3-5-12(13)15/h3-6,13,21H,7-11,20H2,1-2H3 ADNOHCXGLXWXPC-UHFFFAOYSA-N 551955 3-amino-N,N- dimethyl-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine- 6(7H)- carboxamide::US11312723, Example 123 Coagulation factor XII 350 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551955&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146922913 469795841 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164970 CCS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C18H23N5O3S/c1-2-27(25,26)22-10-8-14-16(11-22)21-23(17(14)19)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11,19H2,1H3 ZGYPVPYGGJDTKG-UHFFFAOYSA-N 551956 (3-amino-6- (ethylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 125 Coagulation factor XII 250 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551956&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149500801 469795842 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164972 CCS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C18H23N5O3S/c1-2-27(25,26)22-10-8-14-16(11-22)23(21-17(14)19)18(24)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,2,7-11H2,1H3,(H2,19,21) OAIUWBIEYKNTCR-UHFFFAOYSA-N 551957 (3-amino-6- (ethylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 126 Coagulation factor XII 32000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551957&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148727802 469795843 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164974 CC(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C19H25N5O3S/c1-12(2)28(26,27)23-10-8-15-17(11-23)22-24(18(15)20)19(25)14-7-9-21-16-6-4-3-5-13(14)16/h3-6,12,14,21H,7-11,20H2,1-2H3 MFYYMAIXGFLKSF-UHFFFAOYSA-N 551958 (3-amino-6- (isopropyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 127 Coagulation factor XII 200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551958&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148476394 469795844 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164976 CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc34)c2C1 InChI=1S/C19H25N5O3S/c1-12(2)28(26,27)23-10-8-15-17(11-23)24(22-18(15)20)19(25)14-7-9-21-16-6-4-3-5-13(14)16/h3-6,12,14,21H,7-11H2,1-2H3,(H2,20,22) DFPCQDBQQZINQJ-UHFFFAOYSA-N 551959 (3-amino-6- (isopropyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 128 Coagulation factor XII 28000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551959&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147352083 469795845 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164978 CN(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccccc13)c2N InChI=1S/C18H24N6O3S/c1-22(2)28(26,27)23-10-8-14-16(11-23)21-24(17(14)19)18(25)13-7-9-20-15-6-4-3-5-12(13)15/h3-6,13,20H,7-11,19H2,1-2H3 XAZUVJFHWIGCJR-UHFFFAOYSA-N 551960 3-amino-N,N- dimethyl-2- (1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine-::US11312723, Example 129 Coagulation factor XII 250 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551960&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149181261 469795846 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164980 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCCc3[nH]c(Cl)cc13)c2N 551961 (S*)-(3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(2-chloro- 4,5,6,7-::US11312723, Example 131 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551961&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155643091 469795847 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164982 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCCc3[nH]c(Cl)cc13)c2N 551962 (R*)-(3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(2-chloro- 4,5,6,7-::US11312723, Example 132 Coagulation factor XII 3000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551962&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148710716 469795848 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164983 CS(=O)(=O)N1CCc2c(N)cn(C(=O)C3CCCc4[nH]c(Cl)cc34)c2C1 551963 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(2-chloro- 4,5,6,7- tetrahydro-1H- indol-4- yl)methanone::US11312723, Example 133 Coagulation factor XII 45000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551963&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155330678 469795849 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164984 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccccc13)c2N InChI=1S/C17H21N5O3S/c1-26(24,25)21-9-7-13-15(10-21)20-22(16(13)18)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10,18H2,1H3/t12-/m1/s1 IPIZXXQYPIZSIZ-GFCCVEGCSA-N 551964 (R*)-(3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 134 Coagulation factor XII 28000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551964&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316136 469795850 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164985 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccccc13)c2N InChI=1S/C17H21N5O3S/c1-26(24,25)21-9-7-13-15(10-21)20-22(16(13)18)17(23)12-6-8-19-14-5-3-2-4-11(12)14/h2-5,12,19H,6-10,18H2,1H3/t12-/m0/s1 IPIZXXQYPIZSIZ-LBPRGKRZSA-N 551965 (S*)-(3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 135 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551965&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316114 469795851 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164987 CC(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C19H24FN5O3S/c1-11(2)29(27,28)24-8-6-14-17(10-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)9-15(13)16/h3-4,9,11,13,22H,5-8,10,21H2,1-2H3 BWUILGPSOWTOQQ-UHFFFAOYSA-N 551966 (3-amino-6- (isopropyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 136 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551966&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147166070 469795852 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164989 CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C19H24FN5O3S/c1-11(2)29(27,28)24-8-6-14-17(10-24)25(23-18(14)21)19(26)13-5-7-22-16-4-3-12(20)9-15(13)16/h3-4,9,11,13,22H,5-8,10H2,1-2H3,(H2,21,23) GYQFRZHICKUFQN-UHFFFAOYSA-N 551967 (3-amino-6- (isopropyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 137 Coagulation factor XII 7000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551967&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147732137 469795853 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164990 CC(C)(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C20H26FN5O3S/c1-20(2,3)30(28,29)25-9-7-14-17(11-25)24-26(18(14)22)19(27)13-6-8-23-16-5-4-12(21)10-15(13)16/h4-5,10,13,23H,6-9,11,22H2,1-3H3 NIPMXZWNFKJAOZ-UHFFFAOYSA-N 551968 (3-amino-6- (tert- butylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 138 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551968&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148633521 469795854 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164992 CC(C)(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C20H26FN5O3S/c1-20(2,3)30(28,29)25-9-7-14-17(11-25)26(24-18(14)22)19(27)13-6-8-23-16-5-4-12(21)10-15(13)16/h4-5,10,13,23H,6-9,11H2,1-3H3,(H2,22,24) TXDKJENRDUMEGY-UHFFFAOYSA-N 551969 (3-amino-6- (tert- butylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 139 Coagulation factor XII 55000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551969&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152859003 469795855 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164993 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)CF InChI=1S/C17H19F2N5O3S/c18-9-28(26,27)23-6-4-12-15(8-23)22-24(16(12)20)17(25)11-3-5-21-14-2-1-10(19)7-13(11)14/h1-2,7,11,21H,3-6,8-9,20H2 TUJKMUOANMPTFL-UHFFFAOYSA-N 551970 (3-amino-6- (fluoromethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 140 Coagulation factor XII 130 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551970&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152847193 469795856 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164995 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)CF InChI=1S/C17H19F2N5O3S/c18-9-28(26,27)23-6-4-12-15(8-23)24(22-16(12)20)17(25)11-3-5-21-14-2-1-10(19)7-13(11)14/h1-2,7,11,21H,3-6,8-9H2,(H2,20,22) QJKCJVKZSONYDO-UHFFFAOYSA-N 551971 (3-amino-6- (fluoromethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo(3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 141 Coagulation factor XII 31000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551971&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149048770 469795857 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164996 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)CC(F)F InChI=1S/C18H20F3N5O3S/c19-10-1-2-14-13(7-10)11(3-5-23-14)18(27)26-17(22)12-4-6-25(8-15(12)24-26)30(28,29)9-16(20)21/h1-2,7,11,16,23H,3-6,8-9,22H2 ZXPWIPSNDQJDOQ-UHFFFAOYSA-N 551972 (3-amino-6-(2,2- difluoroethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 142 Coagulation factor XII 200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551972&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149589490 469795858 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164998 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)CC(F)F InChI=1S/C18H20F3N5O3S/c19-10-1-2-14-13(7-10)11(3-5-23-14)18(27)26-15-8-25(30(28,29)9-16(20)21)6-4-12(15)17(22)24-26/h1-2,7,11,16,23H,3-6,8-9H2,(H2,22,24) VOEQSNUSTSELBO-UHFFFAOYSA-N 551973 (3-amino-6-(2,2- difluoroethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 143 Coagulation factor XII 17000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551973&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153085824 469795859 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1164999 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)C1CC1 InChI=1S/C19H22FN5O3S/c20-11-1-4-16-15(9-11)13(5-7-22-16)19(26)25-18(21)14-6-8-24(10-17(14)23-25)29(27,28)12-2-3-12/h1,4,9,12-13,22H,2-3,5-8,10,21H2 APDFQIOWBBCWDW-UHFFFAOYSA-N 551974 (3-amino-6- (cyclopropyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 144 Coagulation factor XII 230 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551974&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146985416 469795860 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165001 Nc1c2CCNCc2nn1C(=O)[C@H]1CCNc2ccc(F)cc12 InChI=1S/C16H18FN5O/c17-9-1-2-13-12(7-9)10(4-6-20-13)16(23)22-15(18)11-3-5-19-8-14(11)21-22/h1-2,7,10,19-20H,3-6,8,18H2/t10-/m0/s1 QTHPOLXYMXFKAS-JTQLQIEISA-N 551975 (S*)-(3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 146 Coagulation factor XII 70.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551975&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316148 469795861 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165003 Nc1c2CCNCc2nn1C(=O)[C@@H]1CCNc2ccc(F)cc12 InChI=1S/C16H18FN5O/c17-9-1-2-13-12(7-9)10(4-6-20-13)16(23)22-15(18)11-3-5-19-8-14(11)21-22/h1-2,7,10,19-20H,3-6,8,18H2/t10-/m1/s1 QTHPOLXYMXFKAS-SNVBAGLBSA-N 551976 (R*)-(3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 147 Coagulation factor XII 10000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551976&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316129 469795862 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165004 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CNCCc12 InChI=1S/C16H18FN5O/c17-9-1-2-13-12(7-9)10(4-6-20-13)16(23)22-14-8-19-5-3-11(14)15(18)21-22/h1-2,7,10,19-20H,3-6,8H2,(H2,18,21) NMKGQZGJYTVSMR-UHFFFAOYSA-N 551977 (3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 148 Coagulation factor XII 20000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551977&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316113 469795863 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165005 CCCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C19H24FN5O/c1-2-8-24-9-6-14-17(11-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)10-15(13)16/h3-4,10,13,22H,2,5-9,11,21H2,1H3 BYIVOTSAQOTIOU-UHFFFAOYSA-N 551978 (3-amino-6- propyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 149 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551978&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147174400 469795864 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165007 CCCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C19H24FN5O/c1-2-8-24-9-6-14-17(11-24)25(23-18(14)21)19(26)13-5-7-22-16-4-3-12(20)10-15(13)16/h3-4,10,13,22H,2,5-9,11H2,1H3,(H2,21,23) OAZMTUINZJZHLE-UHFFFAOYSA-N 551979 (3-amino-6- propyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 150 Coagulation factor XII >70000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551979&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148731193 469795865 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165008 CC(C)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C19H24FN5O/c1-11(2)24-8-6-14-17(10-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)9-15(13)16/h3-4,9,11,13,22H,5-8,10,21H2,1-2H3 FMWQFECCGFXVDT-UHFFFAOYSA-N 551980 Formic Acid salt of (3-amino-6- isopropyl- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 151 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551980&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147530237 469795866 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165010 CC(C)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C19H24FN5O/c1-11(2)24-8-6-14-17(10-24)25(23-18(14)21)19(26)13-5-7-22-16-4-3-12(20)9-15(13)16/h3-4,9,11,13,22H,5-8,10H2,1-2H3,(H2,21,23) UGVAGXOEZYXYBD-UHFFFAOYSA-N 551981 Formic Acid salt of (3-amino-6- isopropyl- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 152 Coagulation factor XII 60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551981&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 152909004 469795867 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165011 CC(C)CN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C20H26FN5O/c1-12(2)10-25-8-6-15-18(11-25)24-26(19(15)22)20(27)14-5-7-23-17-4-3-13(21)9-16(14)17/h3-4,9,12,14,23H,5-8,10-11,22H2,1-2H3 SFRGKWFIDHLXHW-UHFFFAOYSA-N 551982 (3-amino-6- isobutyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 153 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551982&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146839019 469795868 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165013 CC(C)CN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C20H26FN5O/c1-12(2)10-25-8-6-15-18(11-25)26(24-19(15)22)20(27)14-5-7-23-17-4-3-13(21)9-16(14)17/h3-4,9,12,14,23H,5-8,10-11H2,1-2H3,(H2,22,24) YIYXGCUTIODZBC-UHFFFAOYSA-N 551983 (3-amino-6- isobutyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 154 Coagulation factor XII 18000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551983&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149366584 469795869 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165014 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)c1ccncc1 InChI=1S/C21H21FN6O3S/c22-13-1-2-18-17(11-13)15(5-9-25-18)21(29)28-20(23)16-6-10-27(12-19(16)26-28)32(30,31)14-3-7-24-8-4-14/h1-4,7-8,11,15,25H,5-6,9-10,12,23H2 JBZKGFOQXYRLRD-UHFFFAOYSA-N 551984 (3-amino-6- (pyridin-4- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 155 Coagulation factor XII 1200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551984&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316152 469795870 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165015 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)c1ccncc1 InChI=1S/C21H21FN6O3S/c22-13-1-2-18-17(11-13)15(5-9-25-18)21(29)28-19-12-27(10-6-16(19)20(23)26-28)32(30,31)14-3-7-24-8-4-14/h1-4,7-8,11,15,25H,5-6,9-10,12H2,(H2,23,26) ZCIURWZTLPQZFP-UHFFFAOYSA-N 551985 (3-amino-6- (pyridin-4- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 156 Coagulation factor XII 14000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551985&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316155 469795871 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165016 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)c1cccnc1 InChI=1S/C21H21FN6O3S/c22-13-3-4-18-17(10-13)15(5-8-25-18)21(29)28-20(23)16-6-9-27(12-19(16)26-28)32(30,31)14-2-1-7-24-11-14/h1-4,7,10-11,15,25H,5-6,8-9,12,23H2 KDAUBPGNLIBCAR-UHFFFAOYSA-N 551986 (3-amino-6- (pyridin-3- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 157 Coagulation factor XII 700 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551986&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316144 469795872 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165018 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)c1cccnc1 InChI=1S/C21H21FN6O3S/c22-13-3-4-18-17(10-13)15(5-8-25-18)21(29)28-19-12-27(9-6-16(19)20(23)26-28)32(30,31)14-2-1-7-24-11-14/h1-4,7,10-11,15,25H,5-6,8-9,12H2,(H2,23,26) OQWQXNIILLFCTO-UHFFFAOYSA-N 551987 (3-amino-6- (pyridin-3- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 158 Coagulation factor XII 37000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551987&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148816229 469795873 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165019 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)S(=O)(=O)C(F)F InChI=1S/C17H18F3N5O3S/c18-9-1-2-13-12(7-9)10(3-5-22-13)16(26)25-15(21)11-4-6-24(8-14(11)23-25)29(27,28)17(19)20/h1-2,7,10,17,22H,3-6,8,21H2 NOJVEGJKRNVDSB-UHFFFAOYSA-N 551988 (3-amino-6- (difluoromethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 159 Coagulation factor XII 130 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551988&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148664142 469795874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165021 Nc1nn(C(=O)C2CCNc3ccc(F)cc23)c2CN(CCc12)S(=O)(=O)C(F)F InChI=1S/C17H18F3N5O3S/c18-9-1-2-13-12(7-9)10(3-5-22-13)16(26)25-14-8-24(29(27,28)17(19)20)6-4-11(14)15(21)23-25/h1-2,7,10,17,22H,3-6,8H2,(H2,21,23) RDRKCXBIJZUGJB-UHFFFAOYSA-N 551989 (3-amino-6- (difluoromethyl- sulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 160 Coagulation factor XII 16000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551989&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 149133884 469795875 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165022 CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(Cl)cc13)c2N InChI=1S/C18H22ClN5O/c1-2-23-8-6-13-16(10-23)22-24(17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10,20H2,1H3 WPVCBDPTADGRBZ-UHFFFAOYSA-N 551990 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-chloro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 161 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551990&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 153232402 469795876 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165024 CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc34)c2C1 InChI=1S/C18H22ClN5O/c1-2-23-8-6-13-16(10-23)24(22-17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10H2,1H3,(H2,20,22) LPGKDPVOOUCOCU-UHFFFAOYSA-N 551991 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-chloro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 162 Coagulation factor XII 21000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551991&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148387134 469795877 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165025 CCN1CCc2c(C1)nn(C(=O)C1CCNc3ccc(F)cc13)c2N InChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)22-24(17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10,20H2,1H3 PFFZJHNRGQEDJD-UHFFFAOYSA-N 551992 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 163 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551992&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148892673 469795878 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165027 CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc34)c2C1 InChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)24(22-17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10H2,1H3,(H2,20,22) ZZSHJGGVLDCXDM-UHFFFAOYSA-N 551993 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 164 Coagulation factor XII 12000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551993&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316127 469795879 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165028 CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3ccc(F)cc13)c2N InChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)22-24(17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10,20H2,1H3/t12-/m0/s1 PFFZJHNRGQEDJD-LBPRGKRZSA-N 551994 (S*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 165 Coagulation factor XII 30.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551994&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316130 469795880 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165030 CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3ccc(F)cc13)c2N InChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)22-24(17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10,20H2,1H3/t12-/m1/s1 PFFZJHNRGQEDJD-GFCCVEGCSA-N 551995 (R*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 166 Coagulation factor XII 10000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551995&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316141 469795881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165031 Nc1c2CCN(Cc2nn1C(=O)C1CCNc2ccc(F)cc12)c1ccccn1 InChI=1S/C21H21FN6O/c22-13-4-5-17-16(11-13)14(6-9-24-17)21(29)28-20(23)15-7-10-27(12-18(15)26-28)19-3-1-2-8-25-19/h1-5,8,11,14,24H,6-7,9-10,12,23H2 HYVATYXUGLBXGM-UHFFFAOYSA-N 551996 (3-amino-6- (pyridin-2-yl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 167 Coagulation factor XII 60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551996&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147872166 469795882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165033 CS(=O)(=O)N1CCc2c(C1)nn(C(=O)C1CCNc3ccc(cc13)-c1ccncc1)c2N InChI=1S/C22H24N6O3S/c1-32(30,31)27-11-7-17-20(13-27)26-28(21(17)23)22(29)16-6-10-25-19-3-2-15(12-18(16)19)14-4-8-24-9-5-14/h2-5,8-9,12,16,25H,6-7,10-11,13,23H2,1H3 ACAWLKYTOORDBS-UHFFFAOYSA-N 551997 (3-amino-6- (methylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-(pyridin-4- yl)-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 168 Coagulation factor XII 2000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551997&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146914879 469795883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165035 CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(cc34)-c3ccncc3)c2C1 InChI=1S/C22H24N6O3S/c1-32(30,31)27-11-7-17-20(13-27)28(26-21(17)23)22(29)16-6-10-25-19-3-2-15(12-18(16)19)14-4-8-24-9-5-14/h2-5,8-9,12,16,25H,6-7,10-11,13H2,1H3,(H2,23,26) HSNVDHGKXQURLT-UHFFFAOYSA-N 551998 (3-amino-6- (methylsulfonyl)-- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-(pyridin-4- yl)-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 169 Coagulation factor XII 15000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551998&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147838736 469795884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165037 CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cc(F)cc13)c2N InChI=1S/C19H24FN5O/c1-3-24-7-5-14-16(10-24)23-25(18(14)21)19(26)13-4-6-22-17-11(2)8-12(20)9-15(13)17/h8-9,13,22H,3-7,10,21H2,1-2H3/t13-/m0/s1 ZAHJJPHLQDHTND-ZDUSSCGKSA-N 551999 (S*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro-8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 170 Coagulation factor XII 10.00 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=551999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=551999&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316150 469795885 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165039 CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3c(C)cc(F)cc13)c2N InChI=1S/C19H24FN5O/c1-3-24-7-5-14-16(10-24)23-25(18(14)21)19(26)13-4-6-22-17-11(2)8-12(20)9-15(13)17/h8-9,13,22H,3-7,10,21H2,1-2H3/t13-/m1/s1 ZAHJJPHLQDHTND-CYBMUJFWSA-N 552000 (R*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(6-fluoro-8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 171 Coagulation factor XII 4500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552000&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316102 469795886 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165040 CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cc(F)cc34)c2C1 InChI=1S/C19H24FN5O/c1-3-24-7-5-14-16(10-24)25(23-18(14)21)19(26)13-4-6-22-17-11(2)8-12(20)9-15(13)17/h8-9,13,22H,3-7,10H2,1-2H3,(H2,21,23) GQLSIPVIJZYUTF-UHFFFAOYSA-N 552001 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(6-fluoro-8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 172 Coagulation factor XII 4500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552001&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316123 469795887 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165041 CCN1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cccc13)c2N InChI=1S/C19H25N5O/c1-3-23-10-8-15-16(11-23)22-24(18(15)20)19(25)14-7-9-21-17-12(2)5-4-6-13(14)17/h4-6,14,21H,3,7-11,20H2,1-2H3/t14-/m0/s1 FLGAWSGCLBFBRY-AWEZNQCLSA-N 552002 (S*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro quinolin-4- yl)methanone::US11312723, Example 173 Coagulation factor XII 20.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552002&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316134 469795888 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165043 CCN1CCc2c(C1)nn(C(=O)[C@@H]1CCNc3c(C)cccc13)c2N InChI=1S/C19H25N5O/c1-3-23-10-8-15-16(11-23)22-24(18(15)20)19(25)14-7-9-21-17-12(2)5-4-6-13(14)17/h4-6,14,21H,3,7-11,20H2,1-2H3/t14-/m1/s1 FLGAWSGCLBFBRY-CQSZACIVSA-N 552003 (R*)-(3-amino- 6-ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 174 Coagulation factor XII 8000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552003&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316116 469795889 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165044 CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cccc34)c2C1 InChI=1S/C19H25N5O/c1-3-23-10-8-15-16(11-23)24(22-18(15)20)19(25)14-7-9-21-17-12(2)5-4-6-13(14)17/h4-6,14,21H,3,7-11H2,1-2H3,(H2,20,22) PMFTTZLUAHTUDS-UHFFFAOYSA-N 552004 (3-amino-6- ethyl-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 175 Coagulation factor XII 50000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552004&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148932596 469795890 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165045 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CNCCc2c1N InChI=1S/C17H21N5O/c1-10-3-2-4-11-12(6-8-20-15(10)11)17(23)22-16(18)13-5-7-19-9-14(13)21-22/h2-4,12,19-20H,5-9,18H2,1H3/t12-/m0/s1 JNGNIQHBMMMQMF-LBPRGKRZSA-N 552005 (S*)-(3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 176 Coagulation factor XII 100.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552005&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316142 469795891 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165047 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CNCCc2c1N InChI=1S/C17H21N5O/c1-10-3-2-4-11-12(6-8-20-15(10)11)17(23)22-16(18)13-5-7-19-9-14(13)21-22/h2-4,12,19-20H,5-9,18H2,1H3/t12-/m1/s1 JNGNIQHBMMMQMF-GFCCVEGCSA-N 552006 (R*)-(3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 177 Coagulation factor XII 30000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552006&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316117 469795892 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165048 Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCNCc12 InChI=1S/C17H21N5O/c1-10-3-2-4-11-12(6-8-20-15(10)11)17(23)22-14-9-19-7-5-13(14)16(18)21-22/h2-4,12,19-20H,5-9H2,1H3,(H2,18,21) UQQQYIBPECGZAL-UHFFFAOYSA-N 552007 (3-amino- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 178 Coagulation factor XII 60000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552007&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316121 469795893 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165049 CN(C)S(=O)(=O)N1CCc2c(C1)nn(C(=O)[C@H]1CCNc3c(C)cccc13)c2N InChI=1S/C19H26N6O3S/c1-12-5-4-6-13-14(7-9-21-17(12)13)19(26)25-18(20)15-8-10-24(11-16(15)22-25)29(27,28)23(2)3/h4-6,14,21H,7-11,20H2,1-3H3/t14-/m0/s1 MEOHYNWFJYZTKD-AWEZNQCLSA-N 552008 (S*)-3-amino- N,N-dimethyl-2- (8-methyl- 1,2,3,4- tetrahydro- quinoline-4- carbonyl)- 4,5-dihydro-2H- pyrazolo[3,4- c]pyridine-6(7H)-::US11312723, Example 180 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552008&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155643100 469795894 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165050 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1CCC1 InChI=1S/C21H27N5O3S/c1-13-4-2-7-15-16(8-10-23-19(13)15)21(27)26-20(22)17-9-11-25(12-18(17)24-26)30(28,29)14-5-3-6-14/h2,4,7,14,16,23H,3,5-6,8-12,22H2,1H3/t16-/m0/s1 HHNVEFDDKNSNJO-INIZCTEOSA-N 552009 (S*)-(3-amino-6- (cyclobutyl- sulfonyl)-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 182 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552009&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316125 469795895 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165051 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1CCC1 InChI=1S/C21H27N5O3S/c1-13-4-2-7-15-16(8-10-23-19(13)15)21(27)26-20(22)17-9-11-25(12-18(17)24-26)30(28,29)14-5-3-6-14/h2,4,7,14,16,23H,3,5-6,8-12,22H2,1H3/t16-/m1/s1 HHNVEFDDKNSNJO-MRXNPFEDSA-N 552010 (R*)-(3-amino-6- (cyclobutyl- sulfonyl)-4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 183 Coagulation factor XII 35000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552010&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316145 469795896 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165052 Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(=O)(=O)C1CCC1 InChI=1S/C21H27N5O3S/c1-13-4-2-7-15-16(8-10-23-19(13)15)21(27)26-18-12-25(11-9-17(18)20(22)24-26)30(28,29)14-5-3-6-14/h2,4,7,14,16,23H,3,5-6,8-12H2,1H3,(H2,22,24) LIAWKYWPOZAOBM-UHFFFAOYSA-N 552011 (3-amino-6- (cyclobutyl- sulfonyl)-4,5,6,7- tetrahydro- pyrazolo[3,4- cjpyridin-1- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 184 Coagulation factor XII 11000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552011&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155330772 469795897 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165053 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1COC1 InChI=1S/C20H25N5O4S/c1-12-3-2-4-14-15(5-7-22-18(12)14)20(26)25-19(21)16-6-8-24(9-17(16)23-25)30(27,28)13-10-29-11-13/h2-4,13,15,22H,5-11,21H2,1H3/t15-/m0/s1 IVDSIDYYRCHIKJ-HNNXBMFYSA-N 552012 (S*)-(3-amino- 6-(oxetan-3- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 185 Coagulation factor XII 200 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552012&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316146 469795898 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165054 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCc2c1N)S(=O)(=O)C1COC1 InChI=1S/C20H25N5O4S/c1-12-3-2-4-14-15(5-7-22-18(12)14)20(26)25-19(21)16-6-8-24(9-17(16)23-25)30(27,28)13-10-29-11-13/h2-4,13,15,22H,5-11,21H2,1H3/t15-/m1/s1 IVDSIDYYRCHIKJ-OAHLLOKOSA-N 552013 (R*)-(3-amino- 6-(oxetan-3- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 186 Coagulation factor XII 40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552013&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316107 469795899 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165055 Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCN(Cc12)S(=O)(=O)C1COC1 InChI=1S/C20H25N5O4S/c1-12-3-2-4-14-15(5-7-22-18(12)14)20(26)25-17-9-24(8-6-16(17)19(21)23-25)30(27,28)13-10-29-11-13/h2-4,13,15,22H,5-11H2,1H3,(H2,21,23) OYYDSSSOBYYMPI-UHFFFAOYSA-N 552014 (3-amino-6- (oxetan-3- ylsulfonyl)- 4,5,6,7- tetrahydro- pyrazolo[3,4- c]pyridin-1- yl)(8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 187 Coagulation factor XII 35000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552014&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 148858990 469795900 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165056 Cc1cccc2C(CCNc12)C(=O)n1nc2CCOCc2c1N InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-16(18)13-9-23-8-6-14(13)20-21/h2-4,12,19H,5-9,18H2,1H3 ZXHANPDQLTYXJP-UHFFFAOYSA-N 552015 (3-amino-6,7- dihydropyrano[4, 3-c]pyrazol- 2(4H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 188 Coagulation factor XII 170 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552015&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316140 469795901 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165058 Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2COCCc12 InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-14-6-8-23-9-13(14)16(18)20-21/h2-4,12,19H,5-9H2,1H3,(H2,18,20) FKNXUEYRMURPLY-UHFFFAOYSA-N 552016 (3-amino-6,7- dihydropyrano[4, 3-c]pyrazol- 1(4H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 189 Coagulation factor XII 40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552016&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316138 469795902 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165059 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CCOCc2c1N InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-16(18)13-9-23-8-6-14(13)20-21/h2-4,12,19H,5-9,18H2,1H3/t12-/m0/s1 ZXHANPDQLTYXJP-LBPRGKRZSA-N 552017 (S*)-(3-amino- 6,7- dihydropyrano[4, 3-c]pyrazol- 2(4H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 190 Coagulation factor XII 50.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552017&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316112 469795903 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165060 Cc1cc(F)cc2[C@@H](CCNc12)C(=O)n1nc2CCOCc2c1N InChI=1S/C17H19FN4O2/c1-9-6-10(18)7-12-11(2-4-20-15(9)12)17(23)22-16(19)13-8-24-5-3-14(13)21-22/h6-7,11,20H,2-5,8,19H2,1H3/t11-/m1/s1 IYOIFBAFGMVXQJ-LLVKDONJSA-N 552018 (R*)-(3-amino- 6,7- dihydropyrano[4, 3-c]pyrazol- 2(4H)-yl)(6- fluoro-8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 192 Coagulation factor XII 12500 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552018&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316099 469795904 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165061 Cc1cc(F)cc2[C@H](CCNc12)C(=O)n1nc2CCOCc2c1N InChI=1S/C17H19FN4O2/c1-9-6-10(18)7-12-11(2-4-20-15(9)12)17(23)22-16(19)13-8-24-5-3-14(13)21-22/h6-7,11,20H,2-5,8,19H2,1H3/t11-/m0/s1 IYOIFBAFGMVXQJ-NSHDSACASA-N 552019 (S*)-(3-amino- 6,7- dihydropyrano[4, 3-c]pyrazol- 2(4H)-yl)(6- fluoro-8-methyl- 1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 193 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552019&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316137 469795905 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165062 Nc1c2CCOCc2nn1C(=O)C1CCNc2ccc(F)cc12 InChI=1S/C16H17FN4O2/c17-9-1-2-13-12(7-9)10(3-5-19-13)16(22)21-15(18)11-4-6-23-8-14(11)20-21/h1-2,7,10,19H,3-6,8,18H2 AOEYMISDWDSSAQ-UHFFFAOYSA-N 552020 (3-amino-4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(6- fluoro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 194 Coagulation factor XII 160 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552020&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 146980463 469795906 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165064 Nc1c2CCOCc2nn1C(=O)[C@H]1CCNc2ccc(F)cc12 InChI=1S/C16H17FN4O2/c17-9-1-2-13-12(7-9)10(3-5-19-13)16(22)21-15(18)11-4-6-23-8-14(11)20-21/h1-2,7,10,19H,3-6,8,18H2/t10-/m0/s1 AOEYMISDWDSSAQ-JTQLQIEISA-N 552021 (S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(6- fluoro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 196 Coagulation factor XII 80.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552021&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316135 469795907 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165066 Nc1c2CCOCc2nn1C(=O)[C@@H]1CCNc2ccc(F)cc12 InChI=1S/C16H17FN4O2/c17-9-1-2-13-12(7-9)10(3-5-19-13)16(22)21-15(18)11-4-6-23-8-14(11)20-21/h1-2,7,10,19H,3-6,8,18H2/t10-/m1/s1 AOEYMISDWDSSAQ-SNVBAGLBSA-N 552022 (R*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(6- fluoro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 197 Coagulation factor XII 40000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552022&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316100 469795908 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165067 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2COCCc2c1N InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-16(18)13-6-8-23-9-14(13)20-21/h2-4,12,19H,5-9,18H2,1H3/t12-/m0/s1 GUUVTRHJNDPAJL-LBPRGKRZSA-N 552023 (S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 198 Coagulation factor XII 90.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552023&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316139 469795909 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165069 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2COCCc2c1N InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-16(18)13-6-8-23-9-14(13)20-21/h2-4,12,19H,5-9,18H2,1H3/t12-/m1/s1 GUUVTRHJNDPAJL-GFCCVEGCSA-N 552024 (R*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 199 Coagulation factor XII 80000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552024&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316351 469795910 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165070 Cc1cccc2C(CCNc12)C(=O)n1nc(N)c2CCOCc12 InChI=1S/C17H20N4O2/c1-10-3-2-4-11-12(5-7-19-15(10)11)17(22)21-14-9-23-8-6-13(14)16(18)20-21/h2-4,12,19H,5-9H2,1H3,(H2,18,20) HVSDYLSRFOWGCC-UHFFFAOYSA-N 552025 (3-amino-4,5- dihydropyrano[3, 4-c]pyrazol- 1(7H)-yl)(8- methyl-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 200 Coagulation factor XII >100000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552025&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 147855809 469795911 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165071 Nc1c2CCOCc2nn1C(=O)[C@@H]1CCNc2c(Cl)cccc12 InChI=1S/C16H17ClN4O2/c17-12-3-1-2-9-10(4-6-19-14(9)12)16(22)21-15(18)11-5-7-23-8-13(11)20-21/h1-3,10,19H,4-8,18H2/t10-/m1/s1 GTINRKKTNCYCPM-SNVBAGLBSA-N 552026 (R*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(8- chloro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 201 Coagulation factor XII 16000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552026&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316234 469795912 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165072 Nc1c2CCOCc2nn1C(=O)[C@H]1CCNc2c(Cl)cccc12 InChI=1S/C16H17ClN4O2/c17-12-3-1-2-9-10(4-6-19-14(9)12)16(22)21-15(18)11-5-7-23-8-13(11)20-21/h1-3,10,19H,4-8,18H2/t10-/m0/s1 GTINRKKTNCYCPM-JTQLQIEISA-N 552027 (S*)-(3-amino- 4,5- dihydropyrano[3, 4-c]pyrazol- 2(7H)-yl)(8- chloro-1,2,3,4- tetrahydro- quinolin-4- yl)methanone::US11312723, Example 202 Coagulation factor XII 90.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552027&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155316128 469795913 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165073 Cc1cccc2[C@H](CCNc12)C(=O)n1nc2CN(CCO)CCc2c1N InChI=1S/C19H25N5O2/c1-12-3-2-4-13-14(5-7-21-17(12)13)19(26)24-18(20)15-6-8-23(9-10-25)11-16(15)22-24/h2-4,14,21,25H,5-11,20H2,1H3/t14-/m0/s1 PZWQMRHZXWXBJD-AWEZNQCLSA-N 552028 (S*)-(3-amino- 6-(2- hydroxyethyl)- 4,5,6,7- tetrahydro-2H- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4-tetrahydro-::US11312723, Example 204 Coagulation factor XII 40.0 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552028&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155643098 469795914 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1165074 Cc1cccc2[C@@H](CCNc12)C(=O)n1nc2CN(CCO)CCc2c1N InChI=1S/C19H25N5O2/c1-12-3-2-4-13-14(5-7-21-17(12)13)19(26)24-18(20)15-6-8-23(9-10-25)11-16(15)22-24/h2-4,14,21,25H,5-11,20H2,1H3/t14-/m1/s1 PZWQMRHZXWXBJD-CQSZACIVSA-N 552029 (R*)-(3-amino- 6-(2- hydroxyethyl)- 4,5,6,7- tetrahydro-2H- pyrazolo[3,4- c]pyridin-2- yl)(8-methyl- 1,2,3,4-tetrahydro-::US11312723, Example 205 Coagulation factor XII >25000 US Patent 10.7270/Q2XK8JRC aid1806495 US11312723 Ponda, MP; Selnick, H; Egbertson, M; Breslow, JL THE ROCKEFELLER UNIVERSITY http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=552029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=552029&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 155330732 469795915 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51433822 NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41) UXNXMBYCBRBRFD-UHFFFAOYSA-N 416926 (+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropyl-methylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::US10329260, Compound 70a Coagulation factor XII >50000 ChEMBL 10.1021/acs.jmedchem.1c00511 10.7270/Q29C7288 34436898 Kotian, PL; Wu, M; Vadlakonda, S; Chintareddy, V; Lu, P; Juarez, L; Kellogg-Yelder, D; Chen, X; Muppa, S; Chambers-Wilson, R; Davis Parker, C; Williams, J; Polach, KJ; Zhang, W; Raman, K; Babu, YS TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=416926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=416926&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 0RI 7N7X 118355809 433916838 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51442719 C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 FSWFYCYPTDLKON-CMJOXMDJSA-N 247411 US10336754, Example 353::US11053247, Example 353::US9453018, 353 Coagulation factor XII >3000 ChEMBL 10.1021/acs.jmedchem.1c00613 10.7270/Q20005Z7 34494428 Dilger, AK; Pabbisetty, KB; Corte, JR; De Lucca, I; Fang, T; Yang, W; Pinto, DJP; Wang, Y; Zhu, Y; Mathur, A; Li, J; Hou, X; Smith, D; Sun, D; Zhang, H; Krishnananthan, S; Wu, DR; Myers, JE; Sheriff, S; Rossi, KA; Chacko, S; Zheng, JJ; Galella, MA; Ziemba, T; Dierks, EA; Bozarth, JM; Wu, Y; Crain, E; Wong, PC; Luettgen, JM; Wexler, RR; Ewing, WR Bristol Myers Squibb Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=247411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=247411&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search YXG 7MBO 131635534 346541954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444888 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H103N23O16S/c1-36(2)28-44-58(100)83-42(16-9-25-76-65(71)72)57(99)87-46(29-37-12-4-3-5-13-37)60(102)85-43(17-10-26-77-66(73)74)63(105)89-27-11-18-49(89)62(104)84-41(14-6-7-23-67)56(98)88-47(31-53(94)95)61(103)82-40(15-8-24-75-64(69)70)55(97)79-32-50(91)78-33-51(92)81-48(54(68)96)34-106-35-52(93)80-45(59(101)86-44)30-38-19-21-39(90)22-20-38/h3-5,12-13,19-22,36,40-49,90H,6-11,14-18,23-35,67H2,1-2H3,(H2,68,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 IOYPAQFESXRNJZ-CUZNLEPHSA-N 50583790 CHEMBL5069416 Coagulation factor XII 62 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583790&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625809 476019877 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444889 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)C(N)=O 50583791 CHEMBL5091473 Coagulation factor XII 234 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583791&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636478 476019878 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444890 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C72H114N24O18S/c1-36(2)28-46-61(106)87-45(18-12-26-83-72(79)80)60(105)90-49(30-40-14-8-7-9-15-40)65(110)95-56(39(6)98)68(113)92-47(29-37(3)4)62(107)94-52(34-115-35-55(101)85-48(63(108)89-46)31-41-20-22-42(99)23-21-41)66(111)88-44(17-11-25-82-71(77)78)59(104)86-43(16-10-24-81-70(75)76)58(103)84-38(5)69(114)96-27-13-19-53(96)67(112)91-50(32-54(73)100)64(109)93-51(33-97)57(74)102/h7-9,14-15,20-23,36-39,43-53,56,97-99H,10-13,16-19,24-35H2,1-6H3,(H2,73,100)(H2,74,102)(H,84,103)(H,85,101)(H,86,104)(H,87,106)(H,88,111)(H,89,108)(H,90,105)(H,91,112)(H,92,113)(H,93,109)(H,94,107)(H,95,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1 MNCXDBZMFJGEHV-JPVKUASSSA-N 50583792 CHEMBL5090804 Coagulation factor XII 97 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583792&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636448 476019879 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444891 CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C83H125N23O23S/c1-9-43(6)65-80(128)103-60(39-130-40-62(112)93-54(35-48-24-26-49(110)27-25-48)72(120)98-53(32-41(2)3)75(123)105-65)78(126)104-64(42(4)5)79(127)102-59(38-108)77(125)95-51(23-17-31-91-83(88)89)70(118)94-50(22-16-30-90-82(86)87)69(117)92-44(7)68(116)97-55(33-46-18-12-10-13-19-46)73(121)99-56(34-47-20-14-11-15-21-47)76(124)106-66(45(8)109)81(129)100-57(36-63(113)114)74(122)96-52(28-29-61(84)111)71(119)101-58(37-107)67(85)115/h10-15,18-21,24-27,41-45,50-60,64-66,107-110H,9,16-17,22-23,28-40H2,1-8H3,(H2,84,111)(H2,85,115)(H,92,117)(H,93,112)(H,94,118)(H,95,125)(H,96,122)(H,97,116)(H,98,120)(H,99,121)(H,100,129)(H,101,119)(H,102,127)(H,103,128)(H,104,126)(H,105,123)(H,106,124)(H,113,114)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-,66-/m0/s1 LOGMKSCIHHUBHA-PQAGMQGCSA-N 50583793 CHEMBL5094823 Coagulation factor XII >100000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583793&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636232 476019880 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444892 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C60H97N19O17S/c1-30(2)22-38-53(90)72-35(11-8-20-67-60(65)66)52(89)75-39(23-31(3)4)54(91)74-37(10-6-7-19-61)59(96)79-21-9-12-43(79)57(94)78-49(32(5)80)58(95)77-41(25-45(63)83)56(93)73-36(17-18-44(62)82)51(88)69-26-46(84)68-27-47(85)71-42(50(64)87)28-97-29-48(86)70-40(55(92)76-38)24-33-13-15-34(81)16-14-33/h13-16,30-32,35-43,49,80-81H,6-12,17-29,61H2,1-5H3,(H2,62,82)(H2,63,83)(H2,64,87)(H,68,84)(H,69,88)(H,70,86)(H,71,85)(H,72,90)(H,73,93)(H,74,91)(H,75,89)(H,76,92)(H,77,95)(H,78,94)(H4,65,66,67)/t32-,35+,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1 UXLTZTRGAWBLIW-VGGLUEFWSA-N 50583794 CHEMBL5075493 Coagulation factor XII 331 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583794&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626220 476019881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444893 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C80H121N21O22S/c1-40(2)30-53(71(116)98-59(36-102)65(81)110)93-66(111)43(7)88-76(121)60(37-103)99-69(114)52(26-27-63(108)109)92-74(119)57(35-47-20-24-49(106)25-21-47)95-68(113)51(17-13-29-87-80(84)85)91-77(122)61-38-124-39-62(107)89-56(34-46-18-22-48(105)23-19-46)73(118)94-54(31-41(3)4)70(115)90-50(16-12-28-86-79(82)83)67(112)96-58(33-45-14-10-9-11-15-45)75(120)101-64(44(8)104)78(123)97-55(32-42(5)6)72(117)100-61/h9-11,14-15,18-25,40-44,50-61,64,102-106H,12-13,16-17,26-39H2,1-8H3,(H2,81,110)(H,88,121)(H,89,107)(H,90,115)(H,91,122)(H,92,119)(H,93,111)(H,94,118)(H,95,113)(H,96,112)(H,97,123)(H,98,116)(H,99,114)(H,100,117)(H,101,120)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 AUJZFYKELDELPE-DAPVHDTESA-N 50583795 CHEMBL5087598 Coagulation factor XII 372 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583795&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631694 476019882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444894 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H138N32O18S3/c1-45(2)36-54-70(124)100-51(19-11-30-98-81(91)92)68(122)109-58(73(127)104-53(77(131)132)20-12-31-99-82(93)94)40-134-34-25-63(117)112-42-111-43-113(44-112)64(118)26-35-135-41-59(72(126)102-49(17-9-28-96-79(87)88)66(120)103-52(69(123)105-54)22-23-61(84)115)110-75(129)60-21-13-32-114(60)76(130)56(37-46(3)4)107-67(121)50(18-10-29-97-80(89)90)101-71(125)55(38-47-14-6-5-7-15-47)106-74(128)57(39-133-33-24-62(111)116)108-65(119)48(83)16-8-27-95-78(85)86/h5-7,14-15,45-46,48-60H,8-13,16-44,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 PAROXNZLJADTLW-BLSIRIBZSA-N 50583796 CHEMBL4105421 Coagulation factor XII 142 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583796&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137657940 476019883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444895 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2F)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O16S/c1-35(2)27-44-58(101)84-42(15-8-24-77-65(72)73)57(100)88-46(29-37-11-3-4-12-39(37)67)60(103)86-43(16-9-25-78-66(74)75)63(106)90-26-10-17-49(90)62(105)85-41(13-5-6-22-68)56(99)89-47(30-53(95)96)61(104)83-40(14-7-23-76-64(70)71)55(98)80-31-50(92)79-32-51(93)82-48(54(69)97)33-107-34-52(94)81-45(59(102)87-44)28-36-18-20-38(91)21-19-36/h3-4,11-12,18-21,35,40-49,91H,5-10,13-17,22-34,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 JCIOSEINDAPDQJ-CUZNLEPHSA-N 50583797 CHEMBL5084625 Coagulation factor XII 53 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583797&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166633467 476019884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444896 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O16S/c1-35(2)26-44-58(101)84-42(14-7-23-77-65(72)73)57(100)88-46(29-37-10-5-11-38(67)27-37)60(103)86-43(15-8-24-78-66(74)75)63(106)90-25-9-16-49(90)62(105)85-41(12-3-4-21-68)56(99)89-47(30-53(95)96)61(104)83-40(13-6-22-76-64(70)71)55(98)80-31-50(92)79-32-51(93)82-48(54(69)97)33-107-34-52(94)81-45(59(102)87-44)28-36-17-19-39(91)20-18-36/h5,10-11,17-20,27,35,40-49,91H,3-4,6-9,12-16,21-26,28-34,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 VHLJWVFPJIFJQX-CUZNLEPHSA-N 50583798 CHEMBL5082694 Coagulation factor XII 66 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583798&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628222 476019885 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444897 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O16S/c1-35(2)27-44-58(101)84-42(11-6-24-77-65(72)73)57(100)88-46(29-36-14-18-38(67)19-15-36)60(103)86-43(12-7-25-78-66(74)75)63(106)90-26-8-13-49(90)62(105)85-41(9-3-4-22-68)56(99)89-47(30-53(95)96)61(104)83-40(10-5-23-76-64(70)71)55(98)80-31-50(92)79-32-51(93)82-48(54(69)97)33-107-34-52(94)81-45(59(102)87-44)28-37-16-20-39(91)21-17-37/h14-21,35,40-49,91H,3-13,22-34,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 WGGCAZXHCNLUCG-CUZNLEPHSA-N 50583799 CHEMBL5071602 Coagulation factor XII 46 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583799&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631064 476019886 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444898 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O16S/c1-35(2)27-44-58(104)87-42(15-8-24-80-65(75)76)57(103)91-46(29-37-11-3-4-12-39(37)67(68,69)70)60(106)89-43(16-9-25-81-66(77)78)63(109)93-26-10-17-49(93)62(108)88-41(13-5-6-22-71)56(102)92-47(30-53(98)99)61(107)86-40(14-7-23-79-64(73)74)55(101)83-31-50(95)82-32-51(96)85-48(54(72)100)33-110-34-52(97)84-45(59(105)90-44)28-36-18-20-38(94)21-19-36/h3-4,11-12,18-21,35,40-49,94H,5-10,13-17,22-34,71H2,1-2H3,(H2,72,100)(H,82,95)(H,83,101)(H,84,97)(H,85,96)(H,86,107)(H,87,104)(H,88,108)(H,89,106)(H,90,105)(H,91,103)(H,92,102)(H,98,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 VLKDDKBZHDERCN-CUZNLEPHSA-N 50583800 CHEMBL5084738 Coagulation factor XII 42 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583800&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166635886 476019887 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444899 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc(c2)C(F)(F)F)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O16S/c1-35(2)26-44-58(104)87-42(14-7-23-80-65(75)76)57(103)91-46(29-37-10-5-11-38(27-37)67(68,69)70)60(106)89-43(15-8-24-81-66(77)78)63(109)93-25-9-16-49(93)62(108)88-41(12-3-4-21-71)56(102)92-47(30-53(98)99)61(107)86-40(13-6-22-79-64(73)74)55(101)83-31-50(95)82-32-51(96)85-48(54(72)100)33-110-34-52(97)84-45(59(105)90-44)28-36-17-19-39(94)20-18-36/h5,10-11,17-20,27,35,40-49,94H,3-4,6-9,12-16,21-26,28-34,71H2,1-2H3,(H2,72,100)(H,82,95)(H,83,101)(H,84,97)(H,85,96)(H,86,107)(H,87,104)(H,88,108)(H,89,106)(H,90,105)(H,91,103)(H,92,102)(H,98,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 WRNVFPWEZUMBSW-CUZNLEPHSA-N 50583801 CHEMBL5078870 Coagulation factor XII 93 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583801&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629696 476019888 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444900 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O16S/c1-35(2)27-44-58(104)87-42(11-6-24-80-65(75)76)57(103)91-46(29-36-14-18-38(19-15-36)67(68,69)70)60(106)89-43(12-7-25-81-66(77)78)63(109)93-26-8-13-49(93)62(108)88-41(9-3-4-22-71)56(102)92-47(30-53(98)99)61(107)86-40(10-5-23-79-64(73)74)55(101)83-31-50(95)82-32-51(96)85-48(54(72)100)33-110-34-52(97)84-45(59(105)90-44)28-37-16-20-39(94)21-17-37/h14-21,35,40-49,94H,3-13,22-34,71H2,1-2H3,(H2,72,100)(H,82,95)(H,83,101)(H,84,97)(H,85,96)(H,86,107)(H,87,104)(H,88,108)(H,89,106)(H,90,105)(H,91,103)(H,92,102)(H,98,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 JEKRGGTXRPCTES-CUZNLEPHSA-N 50583802 CHEMBL5079540 Coagulation factor XII 110 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583802&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630417 476019889 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444901 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O16S/c1-36(2)27-45-59(102)85-43(15-8-24-78-66(73)74)58(101)89-47(29-38-11-3-4-12-39(38)31-69)61(104)87-44(16-9-25-79-67(75)76)64(107)91-26-10-17-50(91)63(106)86-42(13-5-6-22-68)57(100)90-48(30-54(96)97)62(105)84-41(14-7-23-77-65(71)72)56(99)81-32-51(93)80-33-52(94)83-49(55(70)98)34-108-35-53(95)82-46(60(103)88-45)28-37-18-20-40(92)21-19-37/h3-4,11-12,18-21,36,41-50,92H,5-10,13-17,22-30,32-35,68H2,1-2H3,(H2,70,98)(H,80,93)(H,81,99)(H,82,95)(H,83,94)(H,84,105)(H,85,102)(H,86,106)(H,87,104)(H,88,103)(H,89,101)(H,90,100)(H,96,97)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 UNGIJCNKWGGIRE-SARDKLJWSA-N 50583803 CHEMBL5072468 Coagulation factor XII 120 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583803&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630918 476019890 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444902 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc(c2)C#N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O16S/c1-36(2)26-45-59(102)85-43(14-7-23-78-66(73)74)58(101)89-47(29-38-10-5-11-39(27-38)31-69)61(104)87-44(15-8-24-79-67(75)76)64(107)91-25-9-16-50(91)63(106)86-42(12-3-4-21-68)57(100)90-48(30-54(96)97)62(105)84-41(13-6-22-77-65(71)72)56(99)81-32-51(93)80-33-52(94)83-49(55(70)98)34-108-35-53(95)82-46(60(103)88-45)28-37-17-19-40(92)20-18-37/h5,10-11,17-20,27,36,41-50,92H,3-4,6-9,12-16,21-26,28-30,32-35,68H2,1-2H3,(H2,70,98)(H,80,93)(H,81,99)(H,82,95)(H,83,94)(H,84,105)(H,85,102)(H,86,106)(H,87,104)(H,88,103)(H,89,101)(H,90,100)(H,96,97)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 ADJDGDYSKDYEBE-SARDKLJWSA-N 50583804 CHEMBL5088436 Coagulation factor XII 160 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583804&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166633603 476019891 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444903 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(cc2)C#N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O16S/c1-36(2)27-45-59(102)85-43(11-6-24-78-66(73)74)58(101)89-47(29-37-14-16-39(31-69)17-15-37)61(104)87-44(12-7-25-79-67(75)76)64(107)91-26-8-13-50(91)63(106)86-42(9-3-4-22-68)57(100)90-48(30-54(96)97)62(105)84-41(10-5-23-77-65(71)72)56(99)81-32-51(93)80-33-52(94)83-49(55(70)98)34-108-35-53(95)82-46(60(103)88-45)28-38-18-20-40(92)21-19-38/h14-21,36,41-50,92H,3-13,22-30,32-35,68H2,1-2H3,(H2,70,98)(H,80,93)(H,81,99)(H,82,95)(H,83,94)(H,84,105)(H,85,102)(H,86,106)(H,87,104)(H,88,103)(H,89,101)(H,90,100)(H,96,97)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 TULTZMYDUVJVED-SARDKLJWSA-N 50583805 CHEMBL5081289 Coagulation factor XII 90 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583805&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629794 476019892 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444904 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-36(2)28-45-59(101)84-43(16-9-25-77-66(72)73)58(100)88-47(30-39-13-5-4-12-37(39)3)61(103)86-44(17-10-26-78-67(74)75)64(106)90-27-11-18-50(90)63(105)85-42(14-6-7-23-68)57(99)89-48(31-54(95)96)62(104)83-41(15-8-24-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-49(55(69)97)34-107-35-53(94)81-46(60(102)87-45)29-38-19-21-40(91)22-20-38/h4-5,12-13,19-22,36,41-50,91H,6-11,14-18,23-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 ITZTUWADDZCIAR-SARDKLJWSA-N 50583806 CHEMBL5085905 Coagulation factor XII 43 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583806&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634886 476019893 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444905 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc(C)c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-36(2)27-45-59(101)84-43(15-8-24-77-66(72)73)58(100)88-47(30-39-12-6-11-37(3)28-39)61(103)86-44(16-9-25-78-67(74)75)64(106)90-26-10-17-50(90)63(105)85-42(13-4-5-22-68)57(99)89-48(31-54(95)96)62(104)83-41(14-7-23-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-49(55(69)97)34-107-35-53(94)81-46(60(102)87-45)29-38-18-20-40(91)21-19-38/h6,11-12,18-21,28,36,41-50,91H,4-5,7-10,13-17,22-27,29-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 WWOACQCOJOTRCY-SARDKLJWSA-N 50583807 CHEMBL5078189 Coagulation factor XII 73 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583807&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628463 476019894 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444906 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-36(2)28-45-59(101)84-43(12-7-25-77-66(72)73)58(100)88-47(30-38-17-15-37(3)16-18-38)61(103)86-44(13-8-26-78-67(74)75)64(106)90-27-9-14-50(90)63(105)85-42(10-4-5-23-68)57(99)89-48(31-54(95)96)62(104)83-41(11-6-24-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-49(55(69)97)34-107-35-53(94)81-46(60(102)87-45)29-39-19-21-40(91)22-20-39/h15-22,36,41-50,91H,4-14,23-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 NNNHGFUSDYBMIO-SARDKLJWSA-N 50583808 CHEMBL5093697 Coagulation factor XII 56 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583808&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632491 476019895 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444907 COc1ccccc1C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O17S/c1-36(2)28-44-59(101)84-42(15-9-25-77-66(72)73)58(100)88-46(30-38-12-4-5-18-50(38)107-3)61(103)86-43(16-10-26-78-67(74)75)64(106)90-27-11-17-49(90)63(105)85-41(13-6-7-23-68)57(99)89-47(31-54(95)96)62(104)83-40(14-8-24-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-48(55(69)97)34-108-35-53(94)81-45(60(102)87-44)29-37-19-21-39(91)22-20-37/h4-5,12,18-22,36,40-49,91H,6-11,13-17,23-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 IKZKBHMPKOIKKF-CUZNLEPHSA-N 50583809 CHEMBL5093106 Coagulation factor XII 60 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583809&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166635503 476019896 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444908 COc1cccc(C[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)c1 InChI=1S/C67H105N23O17S/c1-36(2)27-45-59(101)84-43(15-8-24-77-66(72)73)58(100)88-47(30-38-11-6-12-40(28-38)107-3)61(103)86-44(16-9-25-78-67(74)75)64(106)90-26-10-17-50(90)63(105)85-42(13-4-5-22-68)57(99)89-48(31-54(95)96)62(104)83-41(14-7-23-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-49(55(69)97)34-108-35-53(94)81-46(60(102)87-45)29-37-18-20-39(91)21-19-37/h6,11-12,18-21,28,36,41-50,91H,4-5,7-10,13-17,22-27,29-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 NIDKLCCPGRPDFL-SARDKLJWSA-N 50583810 CHEMBL5091200 Coagulation factor XII 120 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583810&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166635759 476019897 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444909 COc1ccc(C[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)cc1 InChI=1S/C67H105N23O17S/c1-36(2)28-45-59(101)84-43(12-7-25-77-66(72)73)58(100)88-47(30-38-17-21-40(107-3)22-18-38)61(103)86-44(13-8-26-78-67(74)75)64(106)90-27-9-14-50(90)63(105)85-42(10-4-5-23-68)57(99)89-48(31-54(95)96)62(104)83-41(11-6-24-76-65(70)71)56(98)80-32-51(92)79-33-52(93)82-49(55(69)97)34-108-35-53(94)81-46(60(102)87-45)29-37-15-19-39(91)20-16-37/h15-22,36,41-50,91H,4-14,23-35,68H2,1-3H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 OBHMYZDTPLHHGN-SARDKLJWSA-N 50583811 CHEMBL5083264 Coagulation factor XII 560 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583811&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630260 476019898 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444910 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H103N23O17S/c1-35(2)27-44-58(101)83-42(11-6-24-76-65(71)72)57(100)87-46(29-37-16-20-39(91)21-17-37)60(103)85-43(12-7-25-77-66(73)74)63(106)89-26-8-13-49(89)62(105)84-41(9-3-4-22-67)56(99)88-47(30-53(95)96)61(104)82-40(10-5-23-75-64(69)70)55(98)79-31-50(92)78-32-51(93)81-48(54(68)97)33-107-34-52(94)80-45(59(102)86-44)28-36-14-18-38(90)19-15-36/h14-21,35,40-49,90-91H,3-13,22-34,67H2,1-2H3,(H2,68,97)(H,78,92)(H,79,98)(H,80,94)(H,81,93)(H,82,104)(H,83,101)(H,84,105)(H,85,103)(H,86,102)(H,87,100)(H,88,99)(H,95,96)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 CCMWXGHZOULIJV-CUZNLEPHSA-N 50583812 CHEMBL5088199 Coagulation factor XII 260 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583812&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632921 476019899 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444911 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O16S/c1-35(2)27-43-57(100)83-41(14-8-24-76-64(70)71)56(99)87-45(29-37-11-4-6-22-74-37)59(102)85-42(15-9-25-77-65(72)73)62(105)89-26-10-16-48(89)61(104)84-40(12-3-5-21-66)55(98)88-46(30-52(94)95)60(103)82-39(13-7-23-75-63(68)69)54(97)79-31-49(91)78-32-50(92)81-47(53(67)96)33-106-34-51(93)80-44(58(101)86-43)28-36-17-19-38(90)20-18-36/h4,6,11,17-20,22,35,39-48,90H,3,5,7-10,12-16,21,23-34,66H2,1-2H3,(H2,67,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 LPMQJKCQPSYSIE-BHEJXMHWSA-N 50583813 CHEMBL5073429 Coagulation factor XII 96 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583813&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630569 476019900 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444912 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O16S/c1-35(2)26-43-57(100)83-41(13-7-23-76-64(70)71)56(99)87-45(28-37-10-5-21-74-30-37)59(102)85-42(14-8-24-77-65(72)73)62(105)89-25-9-15-48(89)61(104)84-40(11-3-4-20-66)55(98)88-46(29-52(94)95)60(103)82-39(12-6-22-75-63(68)69)54(97)79-31-49(91)78-32-50(92)81-47(53(67)96)33-106-34-51(93)80-44(58(101)86-43)27-36-16-18-38(90)19-17-36/h5,10,16-19,21,30,35,39-48,90H,3-4,6-9,11-15,20,22-29,31-34,66H2,1-2H3,(H2,67,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 WLPCIEGTUOEQIM-BHEJXMHWSA-N 50583814 CHEMBL5087875 Coagulation factor XII 170 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583814&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631700 476019901 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444913 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O16S/c1-35(2)27-43-57(100)83-41(11-6-22-76-64(70)71)56(99)87-45(29-37-18-24-74-25-19-37)59(102)85-42(12-7-23-77-65(72)73)62(105)89-26-8-13-48(89)61(104)84-40(9-3-4-20-66)55(98)88-46(30-52(94)95)60(103)82-39(10-5-21-75-63(68)69)54(97)79-31-49(91)78-32-50(92)81-47(53(67)96)33-106-34-51(93)80-44(58(101)86-43)28-36-14-16-38(90)17-15-36/h14-19,24-25,35,39-48,90H,3-13,20-23,26-34,66H2,1-2H3,(H2,67,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 DKXNINFJXQFXDN-BHEJXMHWSA-N 50583815 CHEMBL5087140 Coagulation factor XII 120 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583815&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631682 476019902 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444914 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-37(2)30-46-60(102)84-43(16-9-27-77-66(72)73)57(99)85-44(24-21-38-12-4-3-5-13-38)59(101)87-45(17-10-28-78-67(74)75)64(106)90-29-11-18-50(90)63(105)86-42(14-6-7-25-68)58(100)89-48(32-54(95)96)62(104)83-41(15-8-26-76-65(70)71)56(98)80-33-51(92)79-34-52(93)82-49(55(69)97)35-107-36-53(94)81-47(61(103)88-46)31-39-19-22-40(91)23-20-39/h3-5,12-13,19-20,22-23,37,41-50,91H,6-11,14-18,21,24-36,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,102)(H,85,99)(H,86,105)(H,87,101)(H,88,103)(H,89,100)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 VQJHHRYGMXIPPZ-SARDKLJWSA-N 50583816 CHEMBL5085572 Coagulation factor XII 740 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583816&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632212 476019903 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444915 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O17S/c1-36(2)29-46-60(103)84-43(11-6-26-77-66(72)73)57(100)85-44(23-18-37-14-19-39(91)20-15-37)59(102)87-45(12-7-27-78-67(74)75)64(107)90-28-8-13-50(90)63(106)86-42(9-3-4-24-68)58(101)89-48(31-54(96)97)62(105)83-41(10-5-25-76-65(70)71)56(99)80-32-51(93)79-33-52(94)82-49(55(69)98)34-108-35-53(95)81-47(61(104)88-46)30-38-16-21-40(92)22-17-38/h14-17,19-22,36,41-50,91-92H,3-13,18,23-35,68H2,1-2H3,(H2,69,98)(H,79,93)(H,80,99)(H,81,95)(H,82,94)(H,83,105)(H,84,103)(H,85,100)(H,86,106)(H,87,102)(H,88,104)(H,89,101)(H,96,97)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 RKPMWTPTHJZGRE-SARDKLJWSA-N 50583817 CHEMBL5077307 Coagulation factor XII 560 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583817&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625966 476019904 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444916 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C70H105N23O16S/c1-38(2)29-48-62(104)87-46(15-8-26-80-69(75)76)61(103)91-50(32-40-18-21-41-11-3-4-12-42(41)30-40)64(106)89-47(16-9-27-81-70(77)78)67(109)93-28-10-17-53(93)66(108)88-45(13-5-6-24-71)60(102)92-51(33-57(98)99)65(107)86-44(14-7-25-79-68(73)74)59(101)83-34-54(95)82-35-55(96)85-52(58(72)100)36-110-37-56(97)84-49(63(105)90-48)31-39-19-22-43(94)23-20-39/h3-4,11-12,18-23,30,38,44-53,94H,5-10,13-17,24-29,31-37,71H2,1-2H3,(H2,72,100)(H,82,95)(H,83,101)(H,84,97)(H,85,96)(H,86,107)(H,87,104)(H,88,108)(H,89,106)(H,90,105)(H,91,103)(H,92,102)(H,98,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 LZQHULIJRZDRDB-XBJFMILWSA-N 50583818 CHEMBL5085758 Coagulation factor XII 50 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583818&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631652 476019905 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444917 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C70H105N23O16S/c1-38(2)30-48-62(104)87-46(18-9-27-80-69(75)76)61(103)91-50(32-41-14-7-13-40-12-3-4-15-43(40)41)64(106)89-47(19-10-28-81-70(77)78)67(109)93-29-11-20-53(93)66(108)88-45(16-5-6-25-71)60(102)92-51(33-57(98)99)65(107)86-44(17-8-26-79-68(73)74)59(101)83-34-54(95)82-35-55(96)85-52(58(72)100)36-110-37-56(97)84-49(63(105)90-48)31-39-21-23-42(94)24-22-39/h3-4,7,12-15,21-24,38,44-53,94H,5-6,8-11,16-20,25-37,71H2,1-2H3,(H2,72,100)(H,82,95)(H,83,101)(H,84,97)(H,85,96)(H,86,107)(H,87,104)(H,88,108)(H,89,106)(H,90,105)(H,91,103)(H,92,102)(H,98,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 JYORZNUKZSVHLR-XBJFMILWSA-N 50583819 CHEMBL5072995 Coagulation factor XII 68 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583819&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630534 476019906 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444918 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H103N23O16S/c1-36(2)27-45-58(100)85-44(16-9-25-78-67(74)75)64(106)90-33-39-12-4-3-11-38(39)29-50(90)62(104)86-43(15-8-24-77-66(72)73)63(105)89-26-10-17-49(89)61(103)84-42(13-5-6-22-68)57(99)88-47(30-54(95)96)60(102)83-41(14-7-23-76-65(70)71)56(98)80-31-51(92)79-32-52(93)82-48(55(69)97)34-107-35-53(94)81-46(59(101)87-45)28-37-18-20-40(91)21-19-37/h3-4,11-12,18-21,36,41-50,91H,5-10,13-17,22-35,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,102)(H,84,103)(H,85,100)(H,86,104)(H,87,101)(H,88,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 MIEBDUWPNDVKLL-SARDKLJWSA-N 50583820 CHEMBL5082709 Coagulation factor XII 22000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583820&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628458 476019907 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444919 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H109N23O16S/c1-36(2)28-44-58(100)83-42(16-9-25-76-65(71)72)57(99)87-46(29-37-12-4-3-5-13-37)60(102)85-43(17-10-26-77-66(73)74)63(105)89-27-11-18-49(89)62(104)84-41(14-6-7-23-67)56(98)88-47(31-53(94)95)61(103)82-40(15-8-24-75-64(69)70)55(97)79-32-50(91)78-33-51(92)81-48(54(68)96)34-106-35-52(93)80-45(59(101)86-44)30-38-19-21-39(90)22-20-38/h19-22,36-37,40-49,90H,3-18,23-35,67H2,1-2H3,(H2,68,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 KLXMUHGJZLQVLU-CUZNLEPHSA-N 50583821 CHEMBL5076327 Coagulation factor XII 53 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583821&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626137 476019908 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444920 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H103N23O15S/c1-37(2)29-44-58(99)83-42(21-12-26-76-65(71)72)57(98)87-46(31-39-17-7-4-8-18-39)60(101)85-43(22-13-27-77-66(73)74)63(104)89-28-14-23-49(89)62(103)84-41(19-9-10-24-67)56(97)88-47(32-53(93)94)61(102)82-40(20-11-25-75-64(69)70)55(96)79-33-50(90)78-34-51(91)81-48(54(68)95)35-105-36-52(92)80-45(59(100)86-44)30-38-15-5-3-6-16-38/h3-8,15-18,37,40-49H,9-14,19-36,67H2,1-2H3,(H2,68,95)(H,78,90)(H,79,96)(H,80,92)(H,81,91)(H,82,102)(H,83,99)(H,84,103)(H,85,101)(H,86,100)(H,87,98)(H,88,97)(H,93,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 JBWXSYIBVVEFFT-CUZNLEPHSA-N 50583822 CHEMBL5088842 Coagulation factor XII 480 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583822&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632660 476019909 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444921 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C(F)(F)F)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O15S/c1-36(2)28-44-58(103)87-42(20-11-25-80-65(75)76)57(102)91-45(29-37-14-4-3-5-15-37)59(104)89-43(21-12-26-81-66(77)78)63(108)93-27-13-22-49(93)62(107)88-41(18-8-9-23-71)56(101)92-47(31-53(97)98)61(106)86-40(19-10-24-79-64(73)74)55(100)83-32-50(94)82-33-51(95)85-48(54(72)99)34-109-35-52(96)84-46(60(105)90-44)30-38-16-6-7-17-39(38)67(68,69)70/h3-7,14-17,36,40-49H,8-13,18-35,71H2,1-2H3,(H2,72,99)(H,82,94)(H,83,100)(H,84,96)(H,85,95)(H,86,106)(H,87,103)(H,88,107)(H,89,104)(H,90,105)(H,91,102)(H,92,101)(H,97,98)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 YFBSERSANVQWMK-CUZNLEPHSA-N 50583823 CHEMBL5081169 Coagulation factor XII 120000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583823&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166627445 476019910 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444922 CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(c2)C(F)(F)F)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O15S/c1-36(2)27-44-58(103)87-42(19-10-24-80-65(75)76)57(102)91-46(29-37-13-4-3-5-14-37)60(105)89-43(20-11-25-81-66(77)78)63(108)93-26-12-21-49(93)62(107)88-41(17-6-7-22-71)56(101)92-47(31-53(97)98)61(106)86-40(18-9-23-79-64(73)74)55(100)83-32-50(94)82-33-51(95)85-48(54(72)99)34-109-35-52(96)84-45(59(104)90-44)30-38-15-8-16-39(28-38)67(68,69)70/h3-5,8,13-16,28,36,40-49H,6-7,9-12,17-27,29-35,71H2,1-2H3,(H2,72,99)(H,82,94)(H,83,100)(H,84,96)(H,85,95)(H,86,106)(H,87,103)(H,88,107)(H,89,105)(H,90,104)(H,91,102)(H,92,101)(H,97,98)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 IFQLGYQPDMXYOB-CUZNLEPHSA-N 50583824 CHEMBL5075138 Coagulation factor XII 84000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583824&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626184 476019911 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444923 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102F3N23O15S/c1-36(2)28-44-58(103)87-42(16-9-25-80-65(75)76)57(102)91-46(29-37-12-4-3-5-13-37)60(105)89-43(17-10-26-81-66(77)78)63(108)93-27-11-18-49(93)62(107)88-41(14-6-7-23-71)56(101)92-47(31-53(97)98)61(106)86-40(15-8-24-79-64(73)74)55(100)83-32-50(94)82-33-51(95)85-48(54(72)99)34-109-35-52(96)84-45(59(104)90-44)30-38-19-21-39(22-20-38)67(68,69)70/h3-5,12-13,19-22,36,40-49H,6-11,14-18,23-35,71H2,1-2H3,(H2,72,99)(H,82,94)(H,83,100)(H,84,96)(H,85,95)(H,86,106)(H,87,103)(H,88,107)(H,89,105)(H,90,104)(H,91,102)(H,92,101)(H,97,98)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 RFFBPOZSYPZYLU-CUZNLEPHSA-N 50583825 CHEMBL5093677 Coagulation factor XII 74000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583825&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631864 476019912 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444924 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C#N)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O15S/c1-37(2)28-45-59(101)85-43(20-11-25-78-66(73)74)58(100)89-46(29-38-14-4-3-5-15-38)60(102)87-44(21-12-26-79-67(75)76)64(106)91-27-13-22-50(91)63(105)86-42(18-8-9-23-68)57(99)90-48(31-54(95)96)62(104)84-41(19-10-24-77-65(71)72)56(98)81-33-51(92)80-34-52(93)83-49(55(70)97)35-107-36-53(94)82-47(61(103)88-45)30-39-16-6-7-17-40(39)32-69/h3-7,14-17,37,41-50H,8-13,18-31,33-36,68H2,1-2H3,(H2,70,97)(H,80,92)(H,81,98)(H,82,94)(H,83,93)(H,84,104)(H,85,101)(H,86,105)(H,87,102)(H,88,103)(H,89,100)(H,90,99)(H,95,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 UZYHEUBCRKZKIA-SARDKLJWSA-N 50583826 CHEMBL5086234 Coagulation factor XII 14000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583826&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632879 476019913 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444925 CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(c2)C#N)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O15S/c1-37(2)27-45-59(101)85-43(19-10-24-78-66(73)74)58(100)89-47(29-38-13-4-3-5-14-38)61(103)87-44(20-11-25-79-67(75)76)64(106)91-26-12-21-50(91)63(105)86-42(17-6-7-22-68)57(99)90-48(31-54(95)96)62(104)84-41(18-9-23-77-65(71)72)56(98)81-33-51(92)80-34-52(93)83-49(55(70)97)35-107-36-53(94)82-46(60(102)88-45)30-39-15-8-16-40(28-39)32-69/h3-5,8,13-16,28,37,41-50H,6-7,9-12,17-27,29-31,33-36,68H2,1-2H3,(H2,70,97)(H,80,92)(H,81,98)(H,82,94)(H,83,93)(H,84,104)(H,85,101)(H,86,105)(H,87,103)(H,88,102)(H,89,100)(H,90,99)(H,95,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 KRYKLXOQMYFGTQ-SARDKLJWSA-N 50583827 CHEMBL5084148 Coagulation factor XII 3100 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583827&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166627949 476019914 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444926 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(cc2)C#N)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H102N24O15S/c1-37(2)28-45-59(101)85-43(16-9-25-78-66(73)74)58(100)89-47(29-38-12-4-3-5-13-38)61(103)87-44(17-10-26-79-67(75)76)64(106)91-27-11-18-50(91)63(105)86-42(14-6-7-23-68)57(99)90-48(31-54(95)96)62(104)84-41(15-8-24-77-65(71)72)56(98)81-33-51(92)80-34-52(93)83-49(55(70)97)35-107-36-53(94)82-46(60(102)88-45)30-39-19-21-40(32-69)22-20-39/h3-5,12-13,19-22,37,41-50H,6-11,14-18,23-31,33-36,68H2,1-2H3,(H2,70,97)(H,80,92)(H,81,98)(H,82,94)(H,83,93)(H,84,104)(H,85,101)(H,86,105)(H,87,103)(H,88,102)(H,89,100)(H,90,99)(H,95,96)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 FZOXTYHYRLKVRU-SARDKLJWSA-N 50583828 CHEMBL5090222 Coagulation factor XII 8100 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583828&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631445 476019915 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444927 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2F)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O15S/c1-36(2)28-44-58(100)84-42(20-11-25-77-65(72)73)57(99)88-45(29-37-14-4-3-5-15-37)59(101)86-43(21-12-26-78-66(74)75)63(105)90-27-13-22-49(90)62(104)85-41(18-8-9-23-68)56(98)89-47(31-53(94)95)61(103)83-40(19-10-24-76-64(70)71)55(97)80-32-50(91)79-33-51(92)82-48(54(69)96)34-106-35-52(93)81-46(60(102)87-44)30-38-16-6-7-17-39(38)67/h3-7,14-17,36,40-49H,8-13,18-35,68H2,1-2H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,101)(H,87,102)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 OGESQMRQAOCJCA-CUZNLEPHSA-N 50583829 CHEMBL5094325 Coagulation factor XII 350 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583829&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631578 476019916 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444928 CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(F)c2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O15S/c1-36(2)27-44-58(100)84-42(19-10-24-77-65(72)73)57(99)88-46(29-37-13-4-3-5-14-37)60(102)86-43(20-11-25-78-66(74)75)63(105)90-26-12-21-49(90)62(104)85-41(17-6-7-22-68)56(98)89-47(31-53(94)95)61(103)83-40(18-9-23-76-64(70)71)55(97)80-32-50(91)79-33-51(92)82-48(54(69)96)34-106-35-52(93)81-45(59(101)87-44)30-38-15-8-16-39(67)28-38/h3-5,8,13-16,28,36,40-49H,6-7,9-12,17-27,29-35,68H2,1-2H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,102)(H,87,101)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 RWULZQFBEQRNKU-CUZNLEPHSA-N 50583830 CHEMBL5078931 Coagulation factor XII 650 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583830&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628963 476019917 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444929 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O15S/c1-36(2)28-44-58(100)84-42(16-9-25-77-65(72)73)57(99)88-46(29-37-12-4-3-5-13-37)60(102)86-43(17-10-26-78-66(74)75)63(105)90-27-11-18-49(90)62(104)85-41(14-6-7-23-68)56(98)89-47(31-53(94)95)61(103)83-40(15-8-24-76-64(70)71)55(97)80-32-50(91)79-33-51(92)82-48(54(69)96)34-106-35-52(93)81-45(59(101)87-44)30-38-19-21-39(67)22-20-38/h3-5,12-13,19-22,36,40-49H,6-11,14-18,23-35,68H2,1-2H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,102)(H,87,101)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 SUYHEFIEENRJLM-CUZNLEPHSA-N 50583831 CHEMBL5073958 Coagulation factor XII 470 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583831&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630993 476019918 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444930 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccn2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O15S/c1-36(2)28-43-57(99)83-41(19-11-25-76-64(70)71)56(98)87-44(29-37-14-4-3-5-15-37)58(100)85-42(20-12-26-77-65(72)73)62(104)89-27-13-21-48(89)61(103)84-40(17-6-8-22-66)55(97)88-46(31-52(93)94)60(102)82-39(18-10-24-75-63(68)69)54(96)79-32-49(90)78-33-50(91)81-47(53(67)95)34-105-35-51(92)80-45(59(101)86-43)30-38-16-7-9-23-74-38/h3-5,7,9,14-16,23,36,39-48H,6,8,10-13,17-22,24-35,66H2,1-2H3,(H2,67,95)(H,78,90)(H,79,96)(H,80,92)(H,81,91)(H,82,102)(H,83,99)(H,84,103)(H,85,100)(H,86,101)(H,87,98)(H,88,97)(H,93,94)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 NGXSTEOMZAJUDE-BHEJXMHWSA-N 50583832 CHEMBL5078450 Coagulation factor XII 11000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583832&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629188 476019919 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444931 CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O15S/c1-36(2)27-43-57(99)83-41(18-10-24-76-64(70)71)56(98)87-45(28-37-13-4-3-5-14-37)59(101)85-42(19-11-25-77-65(72)73)62(104)89-26-12-20-48(89)61(103)84-40(16-6-7-21-66)55(97)88-46(30-52(93)94)60(102)82-39(17-9-23-75-63(68)69)54(96)79-32-49(90)78-33-50(91)81-47(53(67)95)34-105-35-51(92)80-44(58(100)86-43)29-38-15-8-22-74-31-38/h3-5,8,13-15,22,31,36,39-48H,6-7,9-12,16-21,23-30,32-35,66H2,1-2H3,(H2,67,95)(H,78,90)(H,79,96)(H,80,92)(H,81,91)(H,82,102)(H,83,99)(H,84,103)(H,85,101)(H,86,100)(H,87,98)(H,88,97)(H,93,94)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 ORCQGHZTDJKZAC-BHEJXMHWSA-N 50583833 CHEMBL5085448 Coagulation factor XII 15000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583833&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166635260 476019920 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444932 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccncc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H102N24O15S/c1-36(2)28-43-57(99)83-41(16-9-23-76-64(70)71)56(98)87-45(29-37-12-4-3-5-13-37)59(101)85-42(17-10-24-77-65(72)73)62(104)89-27-11-18-48(89)61(103)84-40(14-6-7-21-66)55(97)88-46(31-52(93)94)60(102)82-39(15-8-22-75-63(68)69)54(96)79-32-49(90)78-33-50(91)81-47(53(67)95)34-105-35-51(92)80-44(58(100)86-43)30-38-19-25-74-26-20-38/h3-5,12-13,19-20,25-26,36,39-48H,6-11,14-18,21-24,27-35,66H2,1-2H3,(H2,67,95)(H,78,90)(H,79,96)(H,80,92)(H,81,91)(H,82,102)(H,83,99)(H,84,103)(H,85,101)(H,86,100)(H,87,98)(H,88,97)(H,93,94)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 FCDMFCWOSBGCHV-BHEJXMHWSA-N 50583834 CHEMBL5086811 Coagulation factor XII 12000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583834&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634571 476019921 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444933 COc1ccccc1C[C@@H]1NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-37(2)29-44-59(100)84-42(20-12-26-77-66(72)73)58(99)88-45(30-38-15-5-4-6-16-38)60(101)86-43(21-13-27-78-67(74)75)64(105)90-28-14-22-49(90)63(104)85-41(18-9-10-24-68)57(98)89-47(32-54(94)95)62(103)83-40(19-11-25-76-65(70)71)56(97)80-33-51(91)79-34-52(92)82-48(55(69)96)35-107-36-53(93)81-46(61(102)87-44)31-39-17-7-8-23-50(39)106-3/h4-8,15-17,23,37,40-49H,9-14,18-22,24-36,68H2,1-3H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,101)(H,87,102)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 DJDRQAPNHBJQEQ-CUZNLEPHSA-N 50583835 CHEMBL5070463 Coagulation factor XII 400000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583835&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625270 476019922 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444934 COc1cccc(C[C@@H]2NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC2=O)C(N)=O)c1 InChI=1S/C67H105N23O16S/c1-37(2)28-45-59(100)84-43(20-11-25-77-66(72)73)58(99)88-47(30-38-14-5-4-6-15-38)61(102)86-44(21-12-26-78-67(74)75)64(105)90-27-13-22-50(90)63(104)85-42(18-7-8-23-68)57(98)89-48(32-54(94)95)62(103)83-41(19-10-24-76-65(70)71)56(97)80-33-51(91)79-34-52(92)82-49(55(69)96)35-107-36-53(93)81-46(60(101)87-45)31-39-16-9-17-40(29-39)106-3/h4-6,9,14-17,29,37,41-50H,7-8,10-13,18-28,30-36,68H2,1-3H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,102)(H,87,101)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 RFRCGSVRZDDVNZ-SARDKLJWSA-N 50583836 CHEMBL5085243 Coagulation factor XII 640 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583836&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166635901 476019923 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444935 COc1ccc(C[C@@H]2NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC2=O)C(N)=O)cc1 InChI=1S/C67H105N23O16S/c1-37(2)29-45-59(100)84-43(17-10-26-77-66(72)73)58(99)88-47(30-38-13-5-4-6-14-38)61(102)86-44(18-11-27-78-67(74)75)64(105)90-28-12-19-50(90)63(104)85-42(15-7-8-24-68)57(98)89-48(32-54(94)95)62(103)83-41(16-9-25-76-65(70)71)56(97)80-33-51(91)79-34-52(92)82-49(55(69)96)35-107-36-53(93)81-46(60(101)87-45)31-39-20-22-40(106-3)23-21-39/h4-6,13-14,20-23,37,41-50H,7-12,15-19,24-36,68H2,1-3H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,100)(H,85,104)(H,86,102)(H,87,101)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 ZXASXKALOQVMQO-SARDKLJWSA-N 50583837 CHEMBL5080567 Coagulation factor XII 530 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583837&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166627585 476019924 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444936 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102N24O18S/c1-35(2)26-42-58(101)83-40(16-9-23-76-65(71)72)57(100)87-44(27-36-12-4-3-5-13-36)60(103)85-41(17-10-24-77-66(73)74)63(106)89-25-11-18-47(89)62(105)84-39(14-6-7-21-67)56(99)88-45(30-53(95)96)61(104)82-38(15-8-22-75-64(69)70)55(98)79-31-50(92)78-32-51(93)81-46(54(68)97)33-109-34-52(94)80-43(59(102)86-42)28-37-19-20-49(91)48(29-37)90(107)108/h3-5,12-13,19-20,29,35,38-47,91H,6-11,14-18,21-28,30-34,67H2,1-2H3,(H2,68,97)(H,78,92)(H,79,98)(H,80,94)(H,81,93)(H,82,104)(H,83,101)(H,84,105)(H,85,103)(H,86,102)(H,87,100)(H,88,99)(H,95,96)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 RJBONHYCDVNGMW-CIRMSXBNSA-N 50583838 CHEMBL5090396 Coagulation factor XII 90000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583838&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634677 476019925 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444937 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(F)c2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H102FN23O16S/c1-35(2)26-43-58(101)84-41(16-9-23-77-65(72)73)57(100)88-45(28-36-12-4-3-5-13-36)60(103)86-42(17-10-24-78-66(74)75)63(106)90-25-11-18-48(90)62(105)85-40(14-6-7-21-68)56(99)89-46(30-53(95)96)61(104)83-39(15-8-22-76-64(70)71)55(98)80-31-50(92)79-32-51(93)82-47(54(69)97)33-107-34-52(94)81-44(59(102)87-43)29-37-19-20-49(91)38(67)27-37/h3-5,12-13,19-20,27,35,39-48,91H,6-11,14-18,21-26,28-34,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 LTMHQLLUBMJSSK-BHEJXMHWSA-N 50583839 CHEMBL5069451 Coagulation factor XII 150 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583839&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625817 476019926 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444938 CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O15S/c1-38(2)31-46-60(101)84-43(21-12-28-77-66(72)73)58(99)88-47(32-40-17-7-4-8-18-40)61(102)86-45(22-13-29-78-67(74)75)64(105)90-30-14-23-50(90)63(104)85-42(19-9-10-26-68)57(98)89-48(33-54(94)95)62(103)83-41(20-11-27-76-65(70)71)56(97)80-34-51(91)79-35-52(92)82-49(55(69)96)36-106-37-53(93)81-44(59(100)87-46)25-24-39-15-5-3-6-16-39/h3-8,15-18,38,41-50H,9-14,19-37,68H2,1-2H3,(H2,69,96)(H,79,91)(H,80,97)(H,81,93)(H,82,92)(H,83,103)(H,84,101)(H,85,104)(H,86,102)(H,87,100)(H,88,99)(H,89,98)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 DXSIJFRCDMHANV-SARDKLJWSA-N 50583840 CHEMBL5075847 Coagulation factor XII 410000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583840&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626826 476019927 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444939 CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-37(2)30-46-60(102)84-43(16-9-27-77-66(72)73)58(100)88-47(31-39-12-4-3-5-13-39)61(103)86-45(17-10-28-78-67(74)75)64(106)90-29-11-18-50(90)63(105)85-42(14-6-7-25-68)57(99)89-48(32-54(95)96)62(104)83-41(15-8-26-76-65(70)71)56(98)80-33-51(92)79-34-52(93)82-49(55(69)97)35-107-36-53(94)81-44(59(101)87-46)24-21-38-19-22-40(91)23-20-38/h3-5,12-13,19-20,22-23,37,41-50,91H,6-11,14-18,21,24-36,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,102)(H,85,105)(H,86,103)(H,87,101)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 DLZMAOHGLYAPKC-SARDKLJWSA-N 50583841 CHEMBL5086351 Coagulation factor XII 370000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583841&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634904 476019928 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444940 CC(C)C[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H109N23O15S/c1-37(2)29-44-58(99)83-42(21-12-26-76-65(71)72)57(98)87-46(31-39-17-7-4-8-18-39)60(101)85-43(22-13-27-77-66(73)74)63(104)89-28-14-23-49(89)62(103)84-41(19-9-10-24-67)56(97)88-47(32-53(93)94)61(102)82-40(20-11-25-75-64(69)70)55(96)79-33-50(90)78-34-51(91)81-48(54(68)95)35-105-36-52(92)80-45(59(100)86-44)30-38-15-5-3-6-16-38/h4,7-8,17-18,37-38,40-49H,3,5-6,9-16,19-36,67H2,1-2H3,(H2,68,95)(H,78,90)(H,79,96)(H,80,92)(H,81,91)(H,82,102)(H,83,99)(H,84,103)(H,85,101)(H,86,100)(H,87,98)(H,88,97)(H,93,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 RQVXCUDTXQLSKN-CUZNLEPHSA-N 50583842 CHEMBL5085261 Coagulation factor XII 140000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583842&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636268 476019929 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444941 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(C)C InChI=1S/C62H103N23O15S/c1-33(2)26-40-54(95)78-38(18-11-23-72-61(67)68)53(94)81-41(27-35-14-6-5-7-15-35)55(96)80-39(19-12-24-73-62(69)70)59(100)85-25-13-20-44(85)57(98)79-37(16-8-9-21-63)52(93)82-42(28-48(89)90)56(97)77-36(17-10-22-71-60(65)66)51(92)75-29-45(86)74-30-46(87)76-43(50(64)91)31-101-32-47(88)84-49(34(3)4)58(99)83-40/h5-7,14-15,33-34,36-44,49H,8-13,16-32,63H2,1-4H3,(H2,64,91)(H,74,86)(H,75,92)(H,76,87)(H,77,97)(H,78,95)(H,79,98)(H,80,96)(H,81,94)(H,82,93)(H,83,99)(H,84,88)(H,89,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1 ASWXAVIFMFKSQP-WLAJPBTHSA-N 50583843 CHEMBL5075804 Coagulation factor XII 210000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583843&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166627086 476019930 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444942 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H101N23O16S/c1-35(2)27-43-57(99)82-41(21-25-76-65(72)73)56(98)86-45(28-36-11-4-3-5-12-36)59(101)84-42(15-9-24-75-64(70)71)62(104)88-26-10-16-48(88)61(103)83-40(13-6-7-22-66)55(97)87-46(30-52(93)94)60(102)81-39(14-8-23-74-63(68)69)54(96)78-31-49(90)77-32-50(91)80-47(53(67)95)33-105-34-51(92)79-44(58(100)85-43)29-37-17-19-38(89)20-18-37/h3-5,11-12,17-20,35,39-48,89H,6-10,13-16,21-34,66H2,1-2H3,(H2,67,95)(H,77,90)(H,78,96)(H,79,92)(H,80,91)(H,81,102)(H,82,99)(H,83,103)(H,84,101)(H,85,100)(H,86,98)(H,87,97)(H,93,94)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 MRIOJFYDHVABKG-BHEJXMHWSA-N 50583844 CHEMBL5076649 Coagulation factor XII 587 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583844&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626837 476019931 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444943 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-37(2)29-45-59(101)84-42(16-7-9-25-76-65(70)71)57(99)88-47(30-38-13-4-3-5-14-38)61(103)86-44(18-11-27-78-67(74)75)64(106)90-28-12-19-50(90)63(105)85-43(15-6-8-24-68)58(100)89-48(32-54(95)96)62(104)83-41(17-10-26-77-66(72)73)56(98)80-33-51(92)79-34-52(93)82-49(55(69)97)35-107-36-53(94)81-46(60(102)87-45)31-39-20-22-40(91)23-21-39/h3-5,13-14,20-23,37,41-50,91H,6-12,15-19,24-36,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,99)(H,89,100)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 WGJZVJLJNHFMQY-SARDKLJWSA-N 50583845 CHEMBL5087627 Coagulation factor XII 73 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583845&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632283 476019932 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444944 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(N)=O InChI=1S/C65H101N21O16S/c1-36(2)28-44-58(97)80-42(15-8-24-67)57(96)84-46(29-37-12-4-3-5-13-37)60(99)82-43(17-10-26-74-65(71)72)63(102)86-27-11-18-49(86)62(101)81-41(14-6-7-23-66)56(95)85-47(31-53(91)92)61(100)79-40(16-9-25-73-64(69)70)55(94)76-32-50(88)75-33-51(89)78-48(54(68)93)34-103-35-52(90)77-45(59(98)83-44)30-38-19-21-39(87)22-20-38/h3-5,12-13,19-22,36,40-49,87H,6-11,14-18,23-35,66-67H2,1-2H3,(H2,68,93)(H,75,88)(H,76,94)(H,77,90)(H,78,89)(H,79,100)(H,80,97)(H,81,101)(H,82,99)(H,83,98)(H,84,96)(H,85,95)(H,91,92)(H4,69,70,73)(H4,71,72,74)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 KFWAJDVYYQTJMT-CUZNLEPHSA-N 50583846 CHEMBL5085399 Coagulation factor XII 71000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583846&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166633889 476019933 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444945 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H101N23O16S/c1-35(2)27-43-57(99)82-41(15-9-24-75-64(70)71)56(98)86-45(28-36-11-4-3-5-12-36)59(101)84-42(21-25-76-65(72)73)62(104)88-26-10-16-48(88)61(103)83-40(13-6-7-22-66)55(97)87-46(30-52(93)94)60(102)81-39(14-8-23-74-63(68)69)54(96)78-31-49(90)77-32-50(91)80-47(53(67)95)33-105-34-51(92)79-44(58(100)85-43)29-37-17-19-38(89)20-18-37/h3-5,11-12,17-20,35,39-48,89H,6-10,13-16,21-34,66H2,1-2H3,(H2,67,95)(H,77,90)(H,78,96)(H,79,92)(H,80,91)(H,81,102)(H,82,99)(H,83,103)(H,84,101)(H,85,100)(H,86,98)(H,87,97)(H,93,94)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 GISZXSGOPYUBSG-BHEJXMHWSA-N 50583847 CHEMBL5086037 Coagulation factor XII 3300 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583847&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166633897 476019934 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444946 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-37(2)29-45-59(101)84-43(18-11-27-78-67(74)75)58(100)88-47(30-38-13-4-3-5-14-38)61(103)86-44(16-7-9-25-76-65(70)71)64(106)90-28-12-19-50(90)63(105)85-42(15-6-8-24-68)57(99)89-48(32-54(95)96)62(104)83-41(17-10-26-77-66(72)73)56(98)80-33-51(92)79-34-52(93)82-49(55(69)97)35-107-36-53(94)81-46(60(102)87-45)31-39-20-22-40(91)23-21-39/h3-5,13-14,20-23,37,41-50,91H,6-12,15-19,24-36,68H2,1-2H3,(H2,69,97)(H,79,92)(H,80,98)(H,81,94)(H,82,93)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,95,96)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 VEEUNEDWTAZPNP-SARDKLJWSA-N 50583848 CHEMBL5083158 Coagulation factor XII 470 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583848&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629639 476019935 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444947 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H101N21O16S/c1-36(2)28-44-58(97)80-42(17-10-26-74-65(71)72)57(96)84-46(29-37-12-4-3-5-13-37)60(99)82-43(15-8-24-67)63(102)86-27-11-18-49(86)62(101)81-41(14-6-7-23-66)56(95)85-47(31-53(91)92)61(100)79-40(16-9-25-73-64(69)70)55(94)76-32-50(88)75-33-51(89)78-48(54(68)93)34-103-35-52(90)77-45(59(98)83-44)30-38-19-21-39(87)22-20-38/h3-5,12-13,19-22,36,40-49,87H,6-11,14-18,23-35,66-67H2,1-2H3,(H2,68,93)(H,75,88)(H,76,94)(H,77,90)(H,78,89)(H,79,100)(H,80,97)(H,81,101)(H,82,99)(H,83,98)(H,84,96)(H,85,95)(H,91,92)(H4,69,70,73)(H4,71,72,74)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 ZRDDBFWQJGEBNI-CUZNLEPHSA-N 50583849 CHEMBL5073379 Coagulation factor XII 2100 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583849&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630535 476019936 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444948 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(N)=O InChI=1S/C66H103N21O16S/c1-37(2)29-45-59(98)81-42(15-6-8-24-67)57(96)85-47(30-38-13-4-3-5-14-38)61(100)83-44(18-11-27-75-66(72)73)64(103)87-28-12-19-50(87)63(102)82-43(16-7-9-25-68)58(97)86-48(32-54(92)93)62(101)80-41(17-10-26-74-65(70)71)56(95)77-33-51(89)76-34-52(90)79-49(55(69)94)35-104-36-53(91)78-46(60(99)84-45)31-39-20-22-40(88)23-21-39/h3-5,13-14,20-23,37,41-50,88H,6-12,15-19,24-36,67-68H2,1-2H3,(H2,69,94)(H,76,89)(H,77,95)(H,78,91)(H,79,90)(H,80,101)(H,81,98)(H,82,102)(H,83,100)(H,84,99)(H,85,96)(H,86,97)(H,92,93)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 RLATYRCRPHGNBF-SARDKLJWSA-N 50583850 CHEMBL5076038 Coagulation factor XII 300 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583850&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625919 476019937 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444949 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H103N21O16S/c1-37(2)29-45-59(98)81-43(18-11-27-75-66(72)73)58(97)85-47(30-38-13-4-3-5-14-38)61(100)83-44(16-7-9-25-68)64(103)87-28-12-19-50(87)63(102)82-42(15-6-8-24-67)57(96)86-48(32-54(92)93)62(101)80-41(17-10-26-74-65(70)71)56(95)77-33-51(89)76-34-52(90)79-49(55(69)94)35-104-36-53(91)78-46(60(99)84-45)31-39-20-22-40(88)23-21-39/h3-5,13-14,20-23,37,41-50,88H,6-12,15-19,24-36,67-68H2,1-2H3,(H2,69,94)(H,76,89)(H,77,95)(H,78,91)(H,79,90)(H,80,101)(H,81,98)(H,82,102)(H,83,100)(H,84,99)(H,85,97)(H,86,96)(H,92,93)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 NHHUTPHLRWEMAP-SARDKLJWSA-N 50583851 CHEMBL5086332 Coagulation factor XII 65 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583851&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634552 476019938 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444950 C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C63H97N23O16S/c1-34-52(94)80-40(15-8-24-73-62(68)69)55(97)84-43(27-35-11-3-2-4-12-35)57(99)83-41(16-9-25-74-63(70)71)60(102)86-26-10-17-46(86)59(101)82-39(13-5-6-22-64)54(96)85-44(29-50(91)92)58(100)81-38(14-7-23-72-61(66)67)53(95)76-30-47(88)75-31-48(89)79-45(51(65)93)32-103-33-49(90)78-42(56(98)77-34)28-36-18-20-37(87)21-19-36/h2-4,11-12,18-21,34,38-46,87H,5-10,13-17,22-33,64H2,1H3,(H2,65,93)(H,75,88)(H,76,95)(H,77,98)(H,78,90)(H,79,89)(H,80,94)(H,81,100)(H,82,101)(H,83,99)(H,84,97)(H,85,96)(H,91,92)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 LSEBNSHWDLMCIR-JJDCJYGQSA-N 50583852 CHEMBL5081026 Coagulation factor XII 290000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583852&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628315 476019939 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444951 CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C60H99N23O15S/c1-32(2)25-39-53(94)77-37(17-10-22-70-59(65)66)52(93)81-40(26-34-13-5-4-6-14-34)54(95)79-38(18-11-23-71-60(67)68)57(98)83-24-12-19-43(83)56(97)78-36(15-7-8-20-61)51(92)82-41(27-47(87)88)55(96)76-35(16-9-21-69-58(63)64)50(91)73-28-44(84)72-29-45(85)75-42(48(62)89)30-99-31-46(86)74-33(3)49(90)80-39/h4-6,13-14,32-33,35-43H,7-12,15-31,61H2,1-3H3,(H2,62,89)(H,72,84)(H,73,91)(H,74,86)(H,75,85)(H,76,96)(H,77,94)(H,78,97)(H,79,95)(H,80,90)(H,81,93)(H,82,92)(H,87,88)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t33-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 DKPIEHRACOZOCR-MJNVZNKNSA-N 50583853 CHEMBL5090891 Coagulation factor XII 500000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583853&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636454 476019940 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444952 CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)C(N)=O InChI=1S/C63H99N17O15S/c1-8-36(6)52-62(95)79-47(31-81)61(94)76-43(25-34(2)3)55(88)70-29-49(83)69-30-50(84)73-48(53(65)86)32-96-33-51(85)72-45(28-39-19-21-40(82)22-20-39)59(92)77-44(26-35(4)5)58(91)75-42(18-14-24-68-63(66)67)57(90)78-46(27-38-15-10-9-11-16-38)60(93)74-41(17-12-13-23-64)56(89)71-37(7)54(87)80-52/h9-11,15-16,19-22,34-37,41-48,52,81-82H,8,12-14,17-18,23-33,64H2,1-7H3,(H2,65,86)(H,69,83)(H,70,88)(H,71,89)(H,72,85)(H,73,84)(H,74,93)(H,75,91)(H,76,94)(H,77,92)(H,78,90)(H,79,95)(H,80,87)(H4,66,67,68)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1 WKRZKKJWOWFKEX-GYXDNPSWSA-N 50583854 CHEMBL5079464 Coagulation factor XII 180 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583854&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628075 476019941 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444953 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(N)=O InChI=1S/C63H96N20O16S/c1-34(2)26-42-56(94)74-35(3)53(91)80-44(27-36-12-5-4-6-13-36)58(96)79-41(16-10-24-71-63(68)69)61(99)83-25-11-17-47(83)60(98)78-40(14-7-8-22-64)55(93)82-45(29-51(88)89)59(97)77-39(15-9-23-70-62(66)67)54(92)73-30-48(85)72-31-49(86)76-46(52(65)90)32-100-33-50(87)75-43(57(95)81-42)28-37-18-20-38(84)21-19-37/h4-6,12-13,18-21,34-35,39-47,84H,7-11,14-17,22-33,64H2,1-3H3,(H2,65,90)(H,72,85)(H,73,92)(H,74,94)(H,75,87)(H,76,86)(H,77,97)(H,78,98)(H,79,96)(H,80,91)(H,81,95)(H,82,93)(H,88,89)(H4,66,67,70)(H4,68,69,71)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 GPWNLUMKVKGLHX-LEXUIDAJSA-N 50583855 CHEMBL5074679 Coagulation factor XII 110000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583855&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636570 476019942 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444954 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C60H99N23O16S/c1-31(2)24-39-53(95)78-37(12-7-21-70-59(65)66)51(93)74-32(3)49(91)80-38(13-8-22-71-60(67)68)57(99)83-23-9-14-43(83)56(98)79-36(10-4-5-19-61)52(94)82-41(26-47(88)89)55(97)77-35(11-6-20-69-58(63)64)50(92)73-27-44(85)72-28-45(86)76-42(48(62)90)29-100-30-46(87)75-40(54(96)81-39)25-33-15-17-34(84)18-16-33/h15-18,31-32,35-43,84H,4-14,19-30,61H2,1-3H3,(H2,62,90)(H,72,85)(H,73,92)(H,74,93)(H,75,87)(H,76,86)(H,77,97)(H,78,95)(H,79,98)(H,80,91)(H,81,96)(H,82,94)(H,88,89)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 AGEMMGWBVNANOF-KXPJEIABSA-N 50583856 CHEMBL5089664 Coagulation factor XII 5100 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583856&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634342 476019943 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444955 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C63H96N20O16S/c1-34(2)26-42-57(95)78-41(16-10-24-71-63(68)69)55(93)81-44(27-36-12-5-4-6-13-36)56(94)74-35(3)61(99)83-25-11-17-47(83)60(98)79-40(14-7-8-22-64)54(92)82-45(29-51(88)89)59(97)77-39(15-9-23-70-62(66)67)53(91)73-30-48(85)72-31-49(86)76-46(52(65)90)32-100-33-50(87)75-43(58(96)80-42)28-37-18-20-38(84)21-19-37/h4-6,12-13,18-21,34-35,39-47,84H,7-11,14-17,22-33,64H2,1-3H3,(H2,65,90)(H,72,85)(H,73,91)(H,74,94)(H,75,87)(H,76,86)(H,77,97)(H,78,95)(H,79,98)(H,80,96)(H,81,93)(H,82,92)(H,88,89)(H4,66,67,70)(H4,68,69,71)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 FJOLPMKMYNJASM-LEXUIDAJSA-N 50583857 CHEMBL5077163 Coagulation factor XII 79000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583857&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625955 476019944 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444956 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C64H101N23O16S/c1-34(2)26-43-58(100)84-42(17-11-25-75-64(71)72)57(99)86-45(27-36-12-5-4-6-13-36)60(102)83-41(16-10-24-74-63(69)70)55(97)78-35(3)53(95)81-40(14-7-8-22-65)56(98)87-46(29-51(92)93)61(103)82-39(15-9-23-73-62(67)68)54(96)77-30-48(89)76-31-49(90)80-47(52(66)94)32-104-33-50(91)79-44(59(101)85-43)28-37-18-20-38(88)21-19-37/h4-6,12-13,18-21,34-35,39-47,88H,7-11,14-17,22-33,65H2,1-3H3,(H2,66,94)(H,76,89)(H,77,96)(H,78,97)(H,79,91)(H,80,90)(H,81,95)(H,82,103)(H,83,102)(H,84,100)(H,85,101)(H,86,99)(H,87,98)(H,92,93)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 MKQIIPBJSAESTH-LEXUIDAJSA-N 50583858 CHEMBL5069762 Coagulation factor XII 260 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583858&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625758 476019945 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444957 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C63H96N22O16S/c1-33(2)25-41-55(96)80-39(14-8-22-72-62(67)68)54(95)84-43(26-35-11-5-4-6-12-35)57(98)81-40(15-9-23-73-63(69)70)60(101)85-24-10-16-46(85)59(100)76-34(3)52(93)82-44(28-50(90)91)58(99)79-38(13-7-21-71-61(65)66)53(94)75-29-47(87)74-30-48(88)78-45(51(64)92)31-102-32-49(89)77-42(56(97)83-41)27-36-17-19-37(86)20-18-36/h4-6,11-12,17-20,33-34,38-46,86H,7-10,13-16,21-32H2,1-3H3,(H2,64,92)(H,74,87)(H,75,94)(H,76,100)(H,77,89)(H,78,88)(H,79,99)(H,80,96)(H,81,98)(H,82,93)(H,83,97)(H,84,95)(H,90,91)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 ULLGJWBOOIOLBR-JJDCJYGQSA-N 50583859 CHEMBL5076712 Coagulation factor XII 400 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583859&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625936 476019946 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444958 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C65H103N23O14S/c1-36(2)29-45-58(98)83-43(17-10-26-75-64(70)71)57(97)87-47(30-38-13-5-4-6-14-38)60(100)85-44(18-11-27-76-65(72)73)62(102)88-28-12-19-49(88)61(101)84-42(15-7-8-24-66)56(96)79-37(3)54(94)82-41(16-9-25-74-63(68)69)55(95)78-32-50(90)77-33-51(91)81-48(53(67)93)34-103-35-52(92)80-46(59(99)86-45)31-39-20-22-40(89)23-21-39/h4-6,13-14,20-23,36-37,41-49,89H,7-12,15-19,24-35,66H2,1-3H3,(H2,67,93)(H,77,90)(H,78,95)(H,79,96)(H,80,92)(H,81,91)(H,82,94)(H,83,98)(H,84,101)(H,85,100)(H,86,99)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 YNLXYRNJXIPQLS-KFAMUQCISA-N 50583860 CHEMBL5094115 Coagulation factor XII 50 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583860&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632501 476019947 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444959 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C63H96N20O16S/c1-34(2)26-42-57(95)77-40(15-9-23-70-62(66)67)55(93)81-44(27-36-12-5-4-6-13-36)59(97)79-41(16-10-24-71-63(68)69)61(99)83-25-11-17-47(83)60(98)78-39(14-7-8-22-64)54(92)82-45(29-51(88)89)56(94)74-35(3)53(91)73-30-48(85)72-31-49(86)76-46(52(65)90)32-100-33-50(87)75-43(58(96)80-42)28-37-18-20-38(84)21-19-37/h4-6,12-13,18-21,34-35,39-47,84H,7-11,14-17,22-33,64H2,1-3H3,(H2,65,90)(H,72,85)(H,73,91)(H,74,94)(H,75,87)(H,76,86)(H,77,95)(H,78,98)(H,79,97)(H,80,96)(H,81,93)(H,82,92)(H,88,89)(H4,66,67,70)(H4,68,69,71)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 IGRXYQYINDLUGY-LEXUIDAJSA-N 50583861 CHEMBL5084447 Coagulation factor XII 650 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583861&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166634171 476019948 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444960 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-36(2)29-45-59(101)84-43(17-10-26-77-66(72)73)58(100)88-47(30-38-13-5-4-6-14-38)61(103)86-44(18-11-27-78-67(74)75)64(106)90-28-12-19-50(90)63(105)85-41(15-7-8-24-68)57(99)89-48(32-53(94)95)62(104)83-42(16-9-25-76-65(70)71)56(98)80-37(3)55(97)79-33-51(92)82-49(54(69)96)34-107-35-52(93)81-46(60(102)87-45)31-39-20-22-40(91)23-21-39/h4-6,13-14,20-23,36-37,41-50,91H,7-12,15-19,24-35,68H2,1-3H3,(H2,69,96)(H,79,97)(H,80,98)(H,81,93)(H,82,92)(H,83,104)(H,84,101)(H,85,105)(H,86,103)(H,87,102)(H,88,100)(H,89,99)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 YZLDESWLHKPWRK-UDXVSVLKSA-N 50583862 CHEMBL5087935 Coagulation factor XII 27000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583862&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632908 476019949 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444961 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C67H105N23O16S/c1-36(2)29-45-59(101)83-43(17-10-26-77-66(72)73)58(100)87-47(30-38-13-5-4-6-14-38)61(103)85-44(18-11-27-78-67(74)75)64(106)90-28-12-19-50(90)63(105)84-42(15-7-8-24-68)57(99)88-48(32-53(94)95)62(104)82-41(16-9-25-76-65(70)71)56(98)79-33-51(92)80-37(3)55(97)89-49(54(69)96)34-107-35-52(93)81-46(60(102)86-45)31-39-20-22-40(91)23-21-39/h4-6,13-14,20-23,36-37,41-50,91H,7-12,15-19,24-35,68H2,1-3H3,(H2,69,96)(H,79,98)(H,80,92)(H,81,93)(H,82,104)(H,83,101)(H,84,105)(H,85,103)(H,86,102)(H,87,100)(H,88,99)(H,89,97)(H,94,95)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 KFUBMWGPYYHABS-UDXVSVLKSA-N 50583863 CHEMBL5083729 Coagulation factor XII 15000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583863&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630292 476019950 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444962 CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C54H93N19O16S/c1-26(2)19-33-48(84)66-30(12-9-17-61-54(59)60)47(83)70-34(20-27(3)4)49(85)68-32(11-7-8-16-55)53(89)73-18-10-13-37(73)51(87)72-43(29(6)74)52(88)71-35(21-39(57)76)50(86)67-31(14-15-38(56)75)46(82)63-22-40(77)62-23-41(78)65-36(44(58)80)24-90-25-42(79)64-28(5)45(81)69-33/h26-37,43,74H,7-25,55H2,1-6H3,(H2,56,75)(H2,57,76)(H2,58,80)(H,62,77)(H,63,82)(H,64,79)(H,65,78)(H,66,84)(H,67,86)(H,68,85)(H,69,81)(H,70,83)(H,71,88)(H,72,87)(H4,59,60,61)/t28-,29+,30-,31-,32-,33-,34-,35-,36-,37-,43-/m0/s1 UMCUJJDGGZXBHG-CKDDSVJPSA-N 50583864 CHEMBL5085794 Coagulation factor XII 290000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583864&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632223 476019951 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444963 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C57H91N19O17S/c1-28(2)21-36-52(89)72-35(9-5-6-18-58)56(93)76-20-8-11-40(76)54(91)75-46(30(4)77)55(92)74-38(23-42(60)80)53(90)71-34(16-17-41(59)79)49(86)66-24-43(81)65-25-44(82)69-39(47(61)84)26-94-27-45(83)68-37(22-31-12-14-32(78)15-13-31)51(88)67-29(3)48(85)70-33(50(87)73-36)10-7-19-64-57(62)63/h12-15,28-30,33-40,46,77-78H,5-11,16-27,58H2,1-4H3,(H2,59,79)(H2,60,80)(H2,61,84)(H,65,81)(H,66,86)(H,67,88)(H,68,83)(H,69,82)(H,70,85)(H,71,90)(H,72,89)(H,73,87)(H,74,92)(H,75,91)(H4,62,63,64)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1 XTSJRIRLHQPLRF-WBWUMMAUSA-N 50583865 CHEMBL5091297 Coagulation factor XII 410000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583865&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166632077 476019952 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444964 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C57H90N16O17S/c1-28(2)20-36-51(84)64-30(5)49(82)69-37(21-29(3)4)52(85)68-35(10-7-8-18-58)57(90)73-19-9-11-41(73)55(88)72-47(31(6)74)56(89)71-39(23-43(60)77)54(87)67-34(16-17-42(59)76)50(83)63-24-44(78)62-25-45(79)66-40(48(61)81)26-91-27-46(80)65-38(53(86)70-36)22-32-12-14-33(75)15-13-32/h12-15,28-31,34-41,47,74-75H,7-11,16-27,58H2,1-6H3,(H2,59,76)(H2,60,77)(H2,61,81)(H,62,78)(H,63,83)(H,64,84)(H,65,80)(H,66,79)(H,67,87)(H,68,85)(H,69,82)(H,70,86)(H,71,89)(H,72,88)/t30-,31+,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 HQXCUXGJIQPANJ-WFGKYMDESA-N 50583866 CHEMBL5072706 Coagulation factor XII 850000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583866&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630946 476019953 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444965 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C57H91N19O17S/c1-28(2)21-36-51(88)70-33(10-7-19-64-57(62)63)50(87)67-29(3)48(85)72-35(9-5-6-18-58)56(93)76-20-8-11-40(76)54(91)75-46(30(4)77)55(92)74-38(23-42(60)80)53(90)71-34(16-17-41(59)79)49(86)66-24-43(81)65-25-44(82)69-39(47(61)84)26-94-27-45(83)68-37(52(89)73-36)22-31-12-14-32(78)15-13-31/h12-15,28-30,33-40,46,77-78H,5-11,16-27,58H2,1-4H3,(H2,59,79)(H2,60,80)(H2,61,84)(H,65,81)(H,66,86)(H,67,87)(H,68,83)(H,69,82)(H,70,88)(H,71,90)(H,72,85)(H,73,89)(H,74,92)(H,75,91)(H4,62,63,64)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1 XDKNPICIRWTIKQ-WBWUMMAUSA-N 50583867 CHEMBL5080378 Coagulation factor XII 13000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583867&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629745 476019954 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444966 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C57H90N18O17S/c1-27(2)19-35-50(86)66-29(5)56(92)75-18-8-10-40(75)54(90)74-46(30(6)76)55(91)73-38(22-42(59)79)53(89)70-34(15-16-41(58)78)48(84)65-23-43(80)64-24-44(81)68-39(47(60)83)25-93-26-45(82)67-37(21-31-11-13-32(77)14-12-31)52(88)72-36(20-28(3)4)51(87)69-33(49(85)71-35)9-7-17-63-57(61)62/h11-14,27-30,33-40,46,76-77H,7-10,15-26H2,1-6H3,(H2,58,78)(H2,59,79)(H2,60,83)(H,64,80)(H,65,84)(H,66,86)(H,67,82)(H,68,81)(H,69,87)(H,70,89)(H,71,85)(H,72,88)(H,73,91)(H,74,90)(H4,61,62,63)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1 KLOUIJYNTOGETQ-WBWUMMAUSA-N 50583868 CHEMBL5081371 Coagulation factor XII 60000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583868&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628339 476019955 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444967 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C58H95N19O17S/c1-28(2)20-37-53(90)71-34(10-7-8-18-59)51(88)68-30(5)49(86)77-47(31(6)78)57(94)76-40(23-43(61)81)56(93)73-36(16-17-42(60)80)50(87)67-24-44(82)66-25-45(83)70-41(48(62)85)26-95-27-46(84)69-39(22-32-12-14-33(79)15-13-32)55(92)75-38(21-29(3)4)54(91)72-35(52(89)74-37)11-9-19-65-58(63)64/h12-15,28-31,34-41,47,78-79H,7-11,16-27,59H2,1-6H3,(H2,60,80)(H2,61,81)(H2,62,85)(H,66,82)(H,67,87)(H,68,88)(H,69,84)(H,70,83)(H,71,90)(H,72,91)(H,73,93)(H,74,89)(H,75,92)(H,76,94)(H,77,86)(H4,63,64,65)/t30-,31+,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 WESCIQMPEZSZFX-WFGKYMDESA-N 50583869 CHEMBL5079259 Coagulation factor XII 2300 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583869&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628749 476019956 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444968 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O InChI=1S/C59H95N19O16S/c1-30(2)22-38-53(89)72-35(11-8-20-66-59(64)65)52(88)76-39(23-31(3)4)54(90)74-37(10-6-7-19-60)58(94)78-21-9-12-43(78)57(93)69-32(5)50(86)75-41(25-45(62)81)56(92)73-36(17-18-44(61)80)51(87)68-26-46(82)67-27-47(83)71-42(49(63)85)28-95-29-48(84)70-40(55(91)77-38)24-33-13-15-34(79)16-14-33/h13-16,30-32,35-43,79H,6-12,17-29,60H2,1-5H3,(H2,61,80)(H2,62,81)(H2,63,85)(H,67,82)(H,68,87)(H,69,93)(H,70,84)(H,71,83)(H,72,89)(H,73,92)(H,74,90)(H,75,86)(H,76,88)(H,77,91)(H4,64,65,66)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 GSCHTBGIWQJRQO-KXPJEIABSA-N 50583870 CHEMBL5076004 Coagulation factor XII 450 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583870&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626988 476019957 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444969 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C59H96N18O16S/c1-30(2)23-39-53(88)72-36(12-9-21-65-59(63)64)52(87)74-40(24-31(3)4)54(89)73-38(11-7-8-20-60)58(93)77-22-10-13-43(77)56(91)76-48(33(6)78)57(92)68-32(5)50(85)71-37(18-19-44(61)80)51(86)67-26-45(81)66-27-46(82)70-42(49(62)84)28-94-29-47(83)69-41(55(90)75-39)25-34-14-16-35(79)17-15-34/h14-17,30-33,36-43,48,78-79H,7-13,18-29,60H2,1-6H3,(H2,61,80)(H2,62,84)(H,66,81)(H,67,86)(H,68,92)(H,69,83)(H,70,82)(H,71,85)(H,72,88)(H,73,89)(H,74,87)(H,75,90)(H,76,91)(H4,63,64,65)/t32-,33+,36-,37-,38-,39-,40-,41-,42-,43-,48-/m0/s1 KJKIWHMYQRVZAU-UVHYMYKPSA-N 50583871 CHEMBL5072760 Coagulation factor XII 590 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583871&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166630953 476019958 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444970 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C58H94N18O16S/c1-29(2)21-37-52(87)70-35(12-9-19-64-58(62)63)50(85)72-38(22-30(3)4)53(88)71-36(11-7-8-18-59)57(92)76-20-10-13-42(76)55(90)75-47(32(6)77)56(91)74-40(24-43(60)79)51(86)67-31(5)49(84)66-25-44(80)65-26-45(81)69-41(48(61)83)27-93-28-46(82)68-39(54(89)73-37)23-33-14-16-34(78)17-15-33/h14-17,29-32,35-42,47,77-78H,7-13,18-28,59H2,1-6H3,(H2,60,79)(H2,61,83)(H,65,80)(H,66,84)(H,67,86)(H,68,82)(H,69,81)(H,70,87)(H,71,88)(H,72,85)(H,73,89)(H,74,91)(H,75,90)(H4,62,63,64)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1 PPJPEKWYFOGKEW-SHQZCWFUSA-N 50583872 CHEMBL5087692 Coagulation factor XII 1000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583872&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166633958 476019959 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444971 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C61H99N19O17S/c1-30(2)23-39-54(91)73-36(12-9-21-68-61(66)67)53(90)76-40(24-31(3)4)55(92)75-38(11-7-8-20-62)60(97)80-22-10-13-44(80)58(95)79-49(33(6)81)59(96)78-42(26-46(64)84)57(94)74-37(18-19-45(63)83)52(89)70-32(5)51(88)69-27-47(85)72-43(50(65)87)28-98-29-48(86)71-41(56(93)77-39)25-34-14-16-35(82)17-15-34/h14-17,30-33,36-44,49,81-82H,7-13,18-29,62H2,1-6H3,(H2,63,83)(H2,64,84)(H2,65,87)(H,69,88)(H,70,89)(H,71,86)(H,72,85)(H,73,91)(H,74,94)(H,75,92)(H,76,90)(H,77,93)(H,78,96)(H,79,95)(H4,66,67,68)/t32-,33+,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1 DIJKSKFMYRYUON-AWBRKJSUSA-N 50583873 CHEMBL5082712 Coagulation factor XII 21000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583873&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628858 476019960 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444972 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C61H99N19O17S/c1-30(2)23-39-54(91)72-36(12-9-21-68-61(66)67)53(90)75-40(24-31(3)4)55(92)74-38(11-7-8-20-62)60(97)80-22-10-13-44(80)58(95)79-49(33(6)81)59(96)77-42(26-46(64)84)57(94)73-37(18-19-45(63)83)52(89)69-27-47(85)70-32(5)51(88)78-43(50(65)87)28-98-29-48(86)71-41(56(93)76-39)25-34-14-16-35(82)17-15-34/h14-17,30-33,36-44,49,81-82H,7-13,18-29,62H2,1-6H3,(H2,63,83)(H2,64,84)(H2,65,87)(H,69,89)(H,70,85)(H,71,86)(H,72,91)(H,73,94)(H,74,92)(H,75,90)(H,76,93)(H,77,96)(H,78,88)(H,79,95)(H4,66,67,68)/t32-,33+,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1 BXYZTDZBSKUGIQ-AWBRKJSUSA-N 50583874 CHEMBL5083138 Coagulation factor XII 73000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583874&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166629157 476019961 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444973 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C41H61N13O8S/c1-23(2)18-29-37(60)50-27(10-6-16-47-40(43)44)35(58)53-31(19-24-8-4-3-5-9-24)39(62)51-28(11-7-17-48-41(45)46)36(59)54-32(34(42)57)21-63-22-33(56)49-30(38(61)52-29)20-25-12-14-26(55)15-13-25/h3-5,8-9,12-15,23,27-32,55H,6-7,10-11,16-22H2,1-2H3,(H2,42,57)(H,49,56)(H,50,60)(H,51,62)(H,52,61)(H,53,58)(H,54,59)(H4,43,44,47)(H4,45,46,48)/t27-,28-,29-,30-,31-,32-/m0/s1 COZAYPVEKRMKBT-JNRWAQIZSA-N 50583875 CHEMBL5078196 Coagulation factor XII 200000 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583875&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628930 476019962 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444974 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)[C@@H](C)O InChI=1S/C45H67N11O10S/c1-24(2)18-31-40(62)51-30(12-9-17-49-45(47)48)39(61)53-34(20-27-10-7-6-8-11-27)43(65)56-37(26(5)57)44(66)54-32(19-25(3)4)41(63)55-35(38(46)60)22-67-23-36(59)50-33(42(64)52-31)21-28-13-15-29(58)16-14-28/h6-8,10-11,13-16,24-26,30-35,37,57-58H,9,12,17-23H2,1-5H3,(H2,46,60)(H,50,59)(H,51,62)(H,52,64)(H,53,61)(H,54,66)(H,55,63)(H,56,65)(H4,47,48,49)/t26-,30-,31-,32+,33-,34+,35+,37+/m1/s1 KYBRJYBMHDPXEW-FRIDQADUSA-N 50583876 CHEMBL5078913 Coagulation factor XII 3800 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583876&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166628037 476019963 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444975 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O InChI=1S/C66H103N23O16S/c1-36(2)28-44-58(100)83-42(16-9-25-76-65(71)72)57(99)87-46(29-37-12-4-3-5-13-37)60(102)85-43(17-10-26-77-66(73)74)63(105)89-27-11-18-49(89)62(104)84-41(14-6-7-23-67)56(98)88-47(31-53(94)95)61(103)82-40(15-8-24-75-64(69)70)55(97)79-32-50(91)78-33-51(92)81-48(54(68)96)34-106-35-52(93)80-45(59(101)86-44)30-38-19-21-39(90)22-20-38/h3-5,12-13,19-22,36,40-49,90H,6-11,14-18,23-35,67H2,1-2H3,(H2,68,96)(H,78,91)(H,79,97)(H,80,93)(H,81,92)(H,82,103)(H,83,100)(H,84,104)(H,85,102)(H,86,101)(H,87,99)(H,88,98)(H,94,95)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 IOYPAQFESXRNJZ-CUZNLEPHSA-N 50583790 CHEMBL5069416 Coagulation factor XII 61 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583790&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166625809 476019877 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444976 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O)C(N)=O 50583791 CHEMBL5091473 Coagulation factor XII 311 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583791&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636478 476019878 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444977 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C72H114N24O18S/c1-36(2)28-46-61(106)87-45(18-12-26-83-72(79)80)60(105)90-49(30-40-14-8-7-9-15-40)65(110)95-56(39(6)98)68(113)92-47(29-37(3)4)62(107)94-52(34-115-35-55(101)85-48(63(108)89-46)31-41-20-22-42(99)23-21-41)66(111)88-44(17-11-25-82-71(77)78)59(104)86-43(16-10-24-81-70(75)76)58(103)84-38(5)69(114)96-27-13-19-53(96)67(112)91-50(32-54(73)100)64(109)93-51(33-97)57(74)102/h7-9,14-15,20-23,36-39,43-53,56,97-99H,10-13,16-19,24-35H2,1-6H3,(H2,73,100)(H2,74,102)(H,84,103)(H,85,101)(H,86,104)(H,87,106)(H,88,111)(H,89,108)(H,90,105)(H,91,112)(H,92,113)(H,93,109)(H,94,107)(H,95,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1 MNCXDBZMFJGEHV-JPVKUASSSA-N 50583792 CHEMBL5090804 Coagulation factor XII 157 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583792&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166636448 476019879 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444978 CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(N)=O InChI=1S/C60H97N19O17S/c1-30(2)22-38-53(90)72-35(11-8-20-67-60(65)66)52(89)75-39(23-31(3)4)54(91)74-37(10-6-7-19-61)59(96)79-21-9-12-43(79)57(94)78-49(32(5)80)58(95)77-41(25-45(63)83)56(93)73-36(17-18-44(62)82)51(88)69-26-46(84)68-27-47(85)71-42(50(64)87)28-97-29-48(86)70-40(55(92)76-38)24-33-13-15-34(81)16-14-33/h13-16,30-32,35-43,49,80-81H,6-12,17-29,61H2,1-5H3,(H2,62,82)(H2,63,83)(H2,64,87)(H,68,84)(H,69,88)(H,70,86)(H,71,85)(H,72,90)(H,73,93)(H,74,91)(H,75,89)(H,76,92)(H,77,95)(H,78,94)(H4,65,66,67)/t32-,35+,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1 UXLTZTRGAWBLIW-VGGLUEFWSA-N 50583794 CHEMBL5075493 Coagulation factor XII 611 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583794&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166626220 476019881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444979 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O InChI=1S/C80H121N21O22S/c1-40(2)30-53(71(116)98-59(36-102)65(81)110)93-66(111)43(7)88-76(121)60(37-103)99-69(114)52(26-27-63(108)109)92-74(119)57(35-47-20-24-49(106)25-21-47)95-68(113)51(17-13-29-87-80(84)85)91-77(122)61-38-124-39-62(107)89-56(34-46-18-22-48(105)23-19-46)73(118)94-54(31-41(3)4)70(115)90-50(16-12-28-86-79(82)83)67(112)96-58(33-45-14-10-9-11-15-45)75(120)101-64(44(8)104)78(123)97-55(32-42(5)6)72(117)100-61/h9-11,14-15,18-25,40-44,50-61,64,102-106H,12-13,16-17,26-39H2,1-8H3,(H2,81,110)(H,88,121)(H,89,107)(H,90,115)(H,91,122)(H,92,119)(H,93,111)(H,94,118)(H,95,113)(H,96,112)(H,97,123)(H,98,116)(H,99,114)(H,100,117)(H,101,120)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 AUJZFYKELDELPE-DAPVHDTESA-N 50583795 CHEMBL5087598 Coagulation factor XII 673 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583795&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 166631694 476019882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51444980 CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C82H138N32O18S3/c1-45(2)36-54-70(124)100-51(19-11-30-98-81(91)92)68(122)109-58(73(127)104-53(77(131)132)20-12-31-99-82(93)94)40-134-34-25-63(117)112-42-111-43-113(44-112)64(118)26-35-135-41-59(72(126)102-49(17-9-28-96-79(87)88)66(120)103-52(69(123)105-54)22-23-61(84)115)110-75(129)60-21-13-32-114(60)76(130)56(37-46(3)4)107-67(121)50(18-10-29-97-80(89)90)101-71(125)55(38-47-14-6-5-7-15-47)106-74(128)57(39-133-33-24-62(111)116)108-65(119)48(83)16-8-27-95-78(85)86/h5-7,14-15,45-46,48-60H,8-13,16-44,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 PAROXNZLJADTLW-BLSIRIBZSA-N 50583796 CHEMBL4105421 Coagulation factor XII 173 ChEMBL 10.1021/acs.jmedchem.1c00651 10.7270/Q2MC93XR 34044534 Ford, DJ; Duggan, NM; Fry, SE; Ripoll-Rozada, J; Agten, SM; Liu, W; Corcilius, L; Hackeng, TM; van Oerle, R; Spronk, HMH; Ashhurst, AS; Mini Sasi, V; Kaczmarski, JA; Jackson, CJ; Pereira, PJB; Passioura, T; Suga, H; Payne, RJ The University of Sydney http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50583796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50583796&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 137657940 476019883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51465794 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) KGMPDQIYDKKXRD-UHFFFAOYSA-N 408717 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide ::US10364238, Example 41::US10730874, Example 00397::US11001578, Example 41::US11084809, Example 41::US11198691, Example 41::US11352356, Table II.3::US11584735, Example 41 of WO2016/083820 Coagulation factor XII >40000 ChEMBL 10.7270/Q2HT2TBQ 36251573 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Stocks, MJ; Smith, AJ; Rushbrooke, LJ; Pethen, SJ; Roe, MB; Clark, DE; McEwan, PA; Hampton, SL KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365142 406799348 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1259387 COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) KGMPDQIYDKKXRD-UHFFFAOYSA-N 408717 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide ::US10364238, Example 41::US10730874, Example 00397::US11001578, Example 41::US11084809, Example 41::US11198691, Example 41::US11352356, Table II.3::US11584735, Example 41 of WO2016/083820 Coagulation factor XII >40000 US Patent 10.7270/Q2BG2SXX US11584735 Crowe, DM; Aret, E; Gandhi, K; Lelieveld, RH; Sharp, EK; Todd, RS KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=408717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=408717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 121365142 406799348 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 1259391 COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35) ZRUFVDPYHLTYPD-UHFFFAOYSA-N 528099 1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}methyl)-N-[(3-fluoro-4- methoxypyridin-2-yl)methyl]-3-(methoxymethyl)pyrazole-4-carboxamide::US11180484, Example 30::US11584735, Compound of Formula A Coagulation factor XII >40000 US Patent 10.7270/Q2BG2SXX US11584735 Crowe, DM; Aret, E; Gandhi, K; Lelieveld, RH; Sharp, EK; Todd, RS KalVista Pharmaceuticals Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528099&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301832 463791653 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51474485 Oc1ccc(Cl)cc1NC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O InChI=1S/C16H8BrCl2NO4/c17-11-5-9(19)3-7-4-10(16(23)24-14(7)11)15(22)20-12-6-8(18)1-2-13(12)21/h1-6,21H,(H,20,22) RKHZSUUAAYJFJX-UHFFFAOYSA-N 50146944 CHEMBL3765536 Coagulation factor XII 5000 ChEMBL 10.7270/Q2Q52TMM 34902735 Li, X; Guo, T; Feng, Q; Bai, T; Wu, L; Liu, Y; Zheng, X; Jia, J; Pei, J; Wu, S; Song, Y; Zhang, Y Northwest University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146944&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 9973391 104035508 CHEMBL3765536 ZINC13561214 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK Coagulation factor XII FA12_HUMAN P00748 P78339 51511147 NC(=N)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1 InChI=1S/C19H19N5O/c20-18(21)16-8-6-14(7-9-16)10-22-19(25)17-11-23-24(13-17)12-15-4-2-1-3-5-15/h1-9,11,13H,10,12H2,(H3,20,21)(H,22,25) SAVNTVHVERKVOD-UHFFFAOYSA-N 50591422 CHEMBL5175689 Coagulation factor XII >10000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50591422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50591422&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 24857697 482602274 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511148 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H38N4O4/c1-2-43-30-19-17-26(18-20-30)22-32(38-33(40)29-11-7-4-8-12-29)35(42)39-31(21-25-9-5-3-6-10-25)34(41)37-24-28-15-13-27(23-36)14-16-28/h3-20,31-32H,2,21-24,36H2,1H3,(H,37,41)(H,38,40)(H,39,42)/t31-,32+/m0/s1 UCIXIQRCAGGOJY-AJQTZOPKSA-N 200012 US9234000, 3::US9512065, N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide Coagulation factor XII >50000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200012&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185716 318589842 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511155 COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F InChI=1S/C25H21F4N5O3/c1-37-20-9-10-30-19(22(20)26)12-31-24(36)18-15-34(32-23(18)25(27,28)29)14-17-7-5-16(6-8-17)13-33-11-3-2-4-21(33)35/h2-11,15H,12-14H2,1H3,(H,31,36) NKTBXDIJVDKJRR-UHFFFAOYSA-N 528084 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide::US11180484, Example 6 Coagulation factor XII >4000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=528084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=528084&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 139301871 463791638 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511173 CC(O)C1NC(=O)C2CSCc3cc(CSCC(NC(=O)C(C)N)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N4CCCC4C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC1=O)C(=O)NC(C)C(N)=O)c3 InChI=1S/C82H115N27O19S3/c1-39(83)66(115)105-59-36-129-33-44-24-45-26-46(25-44)35-131-79(78(127)96-40(2)65(86)114)108-73(122)55(27-43-15-17-49(111)18-16-43)101-72(121)57(30-63(85)113)102-70(119)54(19-20-62(84)112)100-71(120)56(29-48-32-91-38-95-48)103-77(126)64(42(4)110)107-75(124)60(37-130-34-45)106-69(118)52(12-7-21-92-81(87)88)98-67(116)41(3)97-76(125)61-14-9-23-109(61)80(128)58(28-47-31-94-51-11-6-5-10-50(47)51)104-68(117)53(99-74(59)123)13-8-22-93-82(89)90/h5-6,10-11,15-18,24-26,31-32,38-42,52-61,64,79,94,110-111H,7-9,12-14,19-23,27-30,33-37,83H2,1-4H3,(H2,84,112)(H2,85,113)(H2,86,114)(H,91,95)(H,96,127)(H,97,125)(H,98,116)(H,99,123)(H,100,120)(H,101,121)(H,102,119)(H,103,126)(H,104,117)(H,105,115)(H,106,118)(H,107,124)(H,108,122)(H4,87,88,92)(H4,89,90,93) SJBURJCQSMMNIC-UHFFFAOYSA-N 50608358 CHEMBL5284671 Coagulation factor XII >50000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608358&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171349210 494498106 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511174 CC(C)CC1NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C2CSCc3cc(CSCC(NC(C)=O)C(=O)NC(CO)C(=O)NC(Cc4ccccc4)C(=O)N4CCC4C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC1=O)C(N)=O)c3 InChI=1S/C74H102N20O18S3/c1-38(2)21-51-67(107)93-72(61(76)101)115-34-45-23-43-22-44(24-45)33-114-36-57(69(109)83-39(3)29-81-50(27-46-30-79-37-82-46)64(104)86-49(16-17-59(75)98)63(103)88-53(28-60(99)100)66(106)87-51)92-62(102)48(11-8-19-80-74(77)78)85-65(105)52(25-42-12-14-47(97)15-13-42)89-71(111)58-18-20-94(58)73(112)54(26-41-9-6-5-7-10-41)90-68(108)55(31-95)91-70(110)56(35-113-32-43)84-40(4)96/h5-7,9-10,12-15,22-24,30,37-39,48-58,72,81,95,97H,8,11,16-21,25-29,31-36H2,1-4H3,(H2,75,98)(H2,76,101)(H,79,82)(H,83,109)(H,84,96)(H,85,105)(H,86,104)(H,87,106)(H,88,103)(H,89,111)(H,90,108)(H,91,110)(H,92,102)(H,93,107)(H,99,100)(H4,77,78,80) NATBJNOLJXJRBB-UHFFFAOYSA-N 50608359 CHEMBL5287333 Coagulation factor XII >50000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608359&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171348385 494498107 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511175 CC(C)C1NC(=O)C(CC(N)=O)NC(=O)C2CSCc3cc(CSCC(NC(=O)C(CCCNC(N)=N)NC1=O)C(=O)NC(C)C(N)=O)cc(CSCC(NC(=O)C(C)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)N2)c3 InChI=1S/C57H87N17O12S3/c1-29(2)45-56(86)68-38(15-11-17-64-57(62)63)50(80)73-41(53(83)65-31(4)46(61)76)26-87-23-34-18-35-20-36(19-34)25-89-28-43(55(85)70-40(22-44(60)75)52(82)74-45)72-48(78)32(5)66-49(79)37(14-9-10-16-58)67-51(81)39(21-33-12-7-6-8-13-33)69-54(84)42(27-88-24-35)71-47(77)30(3)59/h6-8,12-13,18-20,29-32,37-43,45H,9-11,14-17,21-28,58-59H2,1-5H3,(H2,60,75)(H2,61,76)(H,65,83)(H,66,79)(H,67,81)(H,68,86)(H,69,84)(H,70,85)(H,71,77)(H,72,78)(H,73,80)(H,74,82)(H4,62,63,64) KECRAMBCZUQJGL-UHFFFAOYSA-N 50608360 CHEMBL5287858 Coagulation factor XII >50000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608360&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171347542 494498108 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511193 Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2- ZVYLYYBRLJOHMS-RQOWECAXSA-N 50210073 CHEMBL3883461 Coagulation factor XII 3600 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50210073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50210073&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 134131084 375982546 CHEMBL3883461 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51511231 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 InChI=1S/C35H38N4O4/c1-2-43-30-19-17-26(18-20-30)22-32(38-33(40)29-11-7-4-8-12-29)35(42)39-31(21-25-9-5-3-6-10-25)34(41)37-24-28-15-13-27(23-36)14-16-28/h3-20,31-32H,2,21-24,36H2,1H3,(H,37,41)(H,38,40)(H,39,42)/t31-,32+/m0/s1 UCIXIQRCAGGOJY-AJQTZOPKSA-N 200012 US9234000, 3::US9512065, N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide Coagulation factor XII >10000 ChEMBL 10.7270/Q2R215K6 32066009 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200012&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 71185716 318589842 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377295 CC(C)(O)[C@H]1CCN(C1)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H27N5O/c1-22(2,28)16-9-11-27(14-16)20-7-6-15(13-26-20)12-25-19-5-3-4-18-17(19)8-10-24-21(18)23/h3-8,10,13,16,25,28H,9,11-12,14H2,1-2H3,(H2,23,24)/t16-/m0/s1 RVZMGIRXGXNIQX-INIZCTEOSA-N 652476 (S)-2-(1-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2- yl)pyrrolidin-3-yl)propan-2-ol::US20240059691, Example 1131 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652476&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390317 494496625 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377296 Nc1nccc2c(NCc3ccc(nc3)N3CC(CO)n4ccnc4C3)cccc12 InChI=1S/C22H23N7O/c23-22-18-2-1-3-19(17(18)6-7-25-22)26-10-15-4-5-20(27-11-15)28-12-16(14-30)29-9-8-24-21(29)13-28/h1-9,11,16,26,30H,10,12-14H2,(H2,23,25) JZPODAVPOMGNMF-UHFFFAOYSA-N 652477 (7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-5-yl)methanol::US20240059691, Example 1133 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652477&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362667 494496626 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377297 CC(C)(O)C1CN(Cc2nccn12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H27N7O/c1-24(2,32)20-14-30(15-22-26-10-11-31(20)22)21-7-6-16(13-29-21)12-28-19-5-3-4-18-17(19)8-9-27-23(18)25/h3-11,13,20,28,32H,12,14-15H2,1-2H3,(H2,25,27) HTMRVUDGLWUJCD-UHFFFAOYSA-N 652478 2-(7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-5-yl)propan-2-ol::US20240059691, Example 1135 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652478&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362668 494496627 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377298 Nc1nccc2c(NCc3ccc(nc3)N3Cc4nccn4CC3CO)cccc12 InChI=1S/C22H23N7O/c23-22-18-2-1-3-19(17(18)6-7-25-22)26-10-15-4-5-20(27-11-15)29-13-21-24-8-9-28(21)12-16(29)14-30/h1-9,11,16,26,30H,10,12-14H2,(H2,23,25) IJQWOBZCCZVVSR-UHFFFAOYSA-N 652479 (7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-6-yl)methanol::US20240059691, Example 1137 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652479&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362669 494496628 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377299 Nc1nccc2c(NCc3ccc(nc3)N3CCn4ccnc4C3CO)cccc12 InChI=1S/C22H23N7O/c23-21-17-2-1-3-18(16(17)6-7-24-21)26-12-15-4-5-20(27-13-15)29-11-10-28-9-8-25-22(28)19(29)14-30/h1-9,13,19,26,30H,10-12,14H2,(H2,23,24) ODJCCFVIXSQTJB-UHFFFAOYSA-N 652480 (7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-8-yl)methanol::US20240059691, Example 1140 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652480&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362670 494496629 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377300 CC1N(CCn2ccnc12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H23N7/c1-15-22-25-9-10-28(22)11-12-29(15)20-6-5-16(14-27-20)13-26-19-4-2-3-18-17(19)7-8-24-21(18)23/h2-10,14-15,26H,11-13H2,1H3,(H2,23,24) YSHBWHHQCNCYQM-UHFFFAOYSA-N 652481 N5-((6-(8-methyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1150 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652481&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362671 494496630 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377301 Nc1nccc2c(NCc3ccc(nc3)N3CCn4nccc4C3)cccc12 InChI=1S/C21H21N7/c22-21-18-2-1-3-19(17(18)7-8-23-21)24-12-15-4-5-20(25-13-15)27-10-11-28-16(14-27)6-9-26-28/h1-9,13,24H,10-12,14H2,(H2,22,23) IHVYENJPKMBNDT-UHFFFAOYSA-N 652482 N5-((6-(6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 1156 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652482&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362672 494496631 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377302 CC(C)(O)c1cn2CCN(Cc2n1)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H27N7O/c1-24(2,32)20-14-30-10-11-31(15-22(30)29-20)21-7-6-16(13-28-21)12-27-19-5-3-4-18-17(19)8-9-26-23(18)25/h3-9,13-14,27,32H,10-12,15H2,1-2H3,(H2,25,26) CFABJMBLMVPGCU-UHFFFAOYSA-N 652483 2-(7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-2-yl)propan-2-ol::US20240059691, Example 1163 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652483&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362673 494496632 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377303 CC(C)(O)c1cnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H27N7O/c1-24(2,32)20-14-29-22-15-30(10-11-31(20)22)21-7-6-16(13-28-21)12-27-19-5-3-4-18-17(19)8-9-26-23(18)25/h3-9,13-14,27,32H,10-12,15H2,1-2H3,(H2,25,26) FXLFPPCHWPIUAR-UHFFFAOYSA-N 652484 2-(7-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-5,6,7,8- tetrahydroimidazo[1,2-a]pyrazin-3-yl)propan-2-ol::US20240059691, Example 1167 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652484&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362674 494496633 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377304 CN1C[C@H]2[C@@H](COc3ccc(CNc4ccc5c(N)nccc5c4)cn3)[C@H]2C1 InChI=1S/C22H25N5O/c1-27-11-18-19(12-27)20(18)13-28-21-5-2-14(10-26-21)9-25-16-3-4-17-15(8-16)6-7-24-22(17)23/h2-8,10,18-20,25H,9,11-13H2,1H3,(H2,23,24)/t18-,19+,20- LIVAVELEINFPRB-ACDBMABISA-N 652485 6-N-[(6-{[(1R,5S,6S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1175 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652485&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362675 494496634 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377305 CC(C)(O)[C@H]1CCN(C1)c1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1 InChI=1S/C22H26ClN5O/c1-22(2,29)15-7-8-28(13-15)20-6-3-14(11-26-20)10-25-16-4-5-17-18(9-16)19(23)12-27-21(17)24/h3-6,9,11-12,15,25,29H,7-8,10,13H2,1-2H3,(H2,24,27)/t15-/m0/s1 MXLBORNZGRKMKV-HNNXBMFYSA-N 652486 2-[(3S)-1-(5-{[(1-amino-4-chloroisoquinolin-6-yl)amino]methyl}pyridin-2-yl)pyrrolidin-3- yl]propan-2-ol::US20240059691, Example 1176 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652486&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362676 494496635 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377306 Nc1nccc2c(NCc3ccc(NCCc4nccn4C(F)F)nc3)cccc12 InChI=1S/C21H21F2N7/c22-21(23)30-11-10-26-19(30)7-9-25-18-5-4-14(13-29-18)12-28-17-3-1-2-16-15(17)6-8-27-20(16)24/h1-6,8,10-11,13,21,28H,7,9,12H2,(H2,24,27)(H,25,29) LZTSERAEHCDHEM-UHFFFAOYSA-N 652487 N5-((6-((2-(1-(difluoromethyl)-1H-imidazol-2-yl)ethyl)amino)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1181 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652487&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362677 494496636 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377307 Nc1ncc(Cl)c2cc(NCc3ccc(NCCc4nccn4C(F)F)nc3)ccc12 InChI=1S/C21H20ClF2N7/c22-17-12-30-20(25)15-3-2-14(9-16(15)17)28-10-13-1-4-18(29-11-13)26-6-5-19-27-7-8-31(19)21(23)24/h1-4,7-9,11-12,21,28H,5-6,10H2,(H2,25,30)(H,26,29) FDVFMMRGPVOTGK-UHFFFAOYSA-N 652488 4-chloro-N6-((6-((2-(1-(difluoromethyl)-1H-imidazol-2-yl)ethyl)amino)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1182 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652488&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362678 494496637 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377308 CN1CCC(CNc2ccc(CNc3ccc4cccnc4c3)cn2)CC1 InChI=1S/C22H27N5/c1-27-11-8-17(9-12-27)14-25-22-7-4-18(16-26-22)15-24-20-6-5-19-3-2-10-23-21(19)13-20/h2-7,10,13,16-17,24H,8-9,11-12,14-15H2,1H3,(H,25,26) JHSNXLWITGYTLS-UHFFFAOYSA-N 652489 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)quinolin-7-amine::US20240059691, Example 1184 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652489&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928361 494496638 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377309 CN(c1nccn1C(F)F)c1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1 InChI=1S/C20H18ClF2N7/c1-29(20-25-6-7-30(20)19(22)23)17-5-2-12(10-27-17)9-26-13-3-4-14-15(8-13)16(21)11-28-18(14)24/h2-8,10-11,19,26H,9H2,1H3,(H2,24,28) OYVCWOTWAAYBLZ-UHFFFAOYSA-N 652490 4-chloro-N6-((6-((1-(difluoromethyl)-1H-imidazol-2-yl)(methyl)amino)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1185 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652490&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362679 494496639 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377310 CN1CCC(CNc2ccc(CNc3ccc4cncc(Cl)c4c3)cn2)CC1 InChI=1S/C22H26ClN5/c1-28-8-6-16(7-9-28)11-26-22-5-2-17(13-27-22)12-25-19-4-3-18-14-24-15-21(23)20(18)10-19/h2-5,10,13-16,25H,6-9,11-12H2,1H3,(H,26,27) BMEUZVFXSXLVOA-UHFFFAOYSA-N 652491 4-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1188 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652491&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362680 494496640 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377311 CN1CCC(CNc2ccc(CNc3cnc4nccnc4c3)cn2)CC1 InChI=1S/C20H25N7/c1-27-8-4-15(5-9-27)11-24-19-3-2-16(13-25-19)12-23-17-10-18-20(26-14-17)22-7-6-21-18/h2-3,6-7,10,13-15,23H,4-5,8-9,11-12H2,1H3,(H,24,25) UDIDAFGDTQEITD-UHFFFAOYSA-N 652492 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)pyrido[2,3-b]pyrazin- 7-amine::US20240059691, Example 1189 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652492&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362681 494496641 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377312 CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)cn2)CC1 InChI=1S/C22H27ClN6/c1-29-8-6-15(7-9-29)11-26-21-5-2-16(13-27-21)12-25-17-3-4-18-19(10-17)20(23)14-28-22(18)24/h2-5,10,13-15,25H,6-9,11-12H2,1H3,(H2,24,28)(H,26,27) IRNZVUXYIYRDLA-UHFFFAOYSA-N 652493 4-chloro-N6-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1193 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652493&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362682 494496642 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377313 CN1CCC(CNc2ccc(CNc3cccc4c(N)ncc(F)c34)cn2)CC1 InChI=1S/C22H27FN6/c1-29-9-7-15(8-10-29)11-26-20-6-5-16(13-27-20)12-25-19-4-2-3-17-21(19)18(23)14-28-22(17)24/h2-6,13-15,25H,7-12H2,1H3,(H2,24,28)(H,26,27) JIJJXSHEUUVQGS-UHFFFAOYSA-N 652494 4-fluoro-N5-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1194 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652494&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362683 494496643 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377314 CN1CCC(CNc2ccc(CNc3ccc4c(N)ncc(F)c4c3)cn2)CC1 InChI=1S/C22H27FN6/c1-29-8-6-15(7-9-29)11-26-21-5-2-16(13-27-21)12-25-17-3-4-18-19(10-17)20(23)14-28-22(18)24/h2-5,10,13-15,25H,6-9,11-12H2,1H3,(H2,24,28)(H,26,27) UAPHILZRWZABNH-UHFFFAOYSA-N 652495 4-fluoro-N6-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1195 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652495&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362684 494496644 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377315 CN1CCC(CNc2ccc(CNc3cc4ccnc(N)c4cn3)cn2)CC1 InChI=1S/C21H27N7/c1-28-8-5-15(6-9-28)11-24-19-3-2-16(12-25-19)13-26-20-10-17-4-7-23-21(22)18(17)14-27-20/h2-4,7,10,12,14-15H,5-6,8-9,11,13H2,1H3,(H2,22,23)(H,24,25)(H,26,27) NZYPDXBDQWJTAF-UHFFFAOYSA-N 652496 N6-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-2,7-naphthyridine- 1,6-diamine::US20240059691, Example 1196 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652496&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362685 494496645 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377316 CN1CCC(CNc2ccc(CNc3ccnc4[nH]ccc34)cn2)CC1 InChI=1S/C20H26N6/c1-26-10-6-15(7-11-26)12-24-19-3-2-16(14-25-19)13-23-18-5-9-22-20-17(18)4-8-21-20/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,24,25)(H2,21,22,23) OQHYZXMZPSUAEY-UHFFFAOYSA-N 652497 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H-pyrrolo[2,3- b]pyridin-4-amine::US20240059691, Example 1197 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652497&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362686 494496646 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377317 CN1CCC(CNc2ccc(CNc3ccc4cncc(N5CCCCC5)c4c3)cn2)CC1 InChI=1S/C27H36N6/c1-32-13-9-21(10-14-32)16-30-27-8-5-22(18-31-27)17-29-24-7-6-23-19-28-20-26(25(23)15-24)33-11-3-2-4-12-33/h5-8,15,18-21,29H,2-4,9-14,16-17H2,1H3,(H,30,31) RCCGPWQOIKOWGO-UHFFFAOYSA-N 652498 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-4-(piperidin-1- yl)isoquinolin-6-amine::US20240059691, Example 1198 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652498&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362687 494496647 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377318 CN1CCC(CNc2ccc(CNc3ccc4c[nH]c(=O)cc4c3)cn2)CC1 InChI=1S/C22H27N5O/c1-27-8-6-16(7-9-27)12-24-21-5-2-17(14-25-21)13-23-20-4-3-18-15-26-22(28)11-19(18)10-20/h2-5,10-11,14-16,23H,6-9,12-13H2,1H3,(H,24,25)(H,26,28) JEYUDBDSRYRUCL-UHFFFAOYSA-N 652499 6-(((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)amino)isoquinolin- 3(2H)-one::US20240059691, Example 1201 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652499&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362688 494496648 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377319 CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(C)cc34)cn2)CC1 InChI=1S/C21H28N6/c1-15-11-18-19(5-8-22-21(18)26-15)23-13-17-3-4-20(25-14-17)24-12-16-6-9-27(2)10-7-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26) OGEBHANRXXUPQA-UHFFFAOYSA-N 652500 2-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1202 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652500&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390287 494496649 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377320 CN1CCC(CNc2ccc(CNc3c(C)cnc4[nH]ccc34)cn2)CC1 InChI=1S/C21H28N6/c1-15-11-26-21-18(5-8-22-21)20(15)25-14-17-3-4-19(24-13-17)23-12-16-6-9-27(2)10-7-16/h3-5,8,11,13,16H,6-7,9-10,12,14H2,1-2H3,(H,23,24)(H2,22,25,26) ZOBCVLJKICJDRG-UHFFFAOYSA-N 652501 5-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1205 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652501&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362689 494496650 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377321 CN1CCC(CNc2ccc(CNc3c(F)cnc4[nH]ccc34)cn2)CC1 InChI=1S/C20H25FN6/c1-27-8-5-14(6-9-27)10-23-18-3-2-15(11-24-18)12-25-19-16-4-7-22-20(16)26-13-17(19)21/h2-4,7,11,13-14H,5-6,8-10,12H2,1H3,(H,23,24)(H2,22,25,26) YOKRLSMCQUNZNE-UHFFFAOYSA-N 652502 5-fluoro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1206 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652502&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362690 494496651 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377322 CN1CCC(CNc2ccc(CNc3cc(F)c4cnccc4c3)cn2)CC1 InChI=1S/C22H26FN5/c1-28-8-5-16(6-9-28)12-26-22-3-2-17(14-27-22)13-25-19-10-18-4-7-24-15-20(18)21(23)11-19/h2-4,7,10-11,14-16,25H,5-6,8-9,12-13H2,1H3,(H,26,27) NNCBCXSQAYLZFN-UHFFFAOYSA-N 652503 8-fluoro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1207 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652503&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362691 494496652 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377323 CN1CCC(CNc2ccc(CNc3cc(Cl)c4cnccc4c3)cn2)CC1 InChI=1S/C22H26ClN5/c1-28-8-5-16(6-9-28)12-26-22-3-2-17(14-27-22)13-25-19-10-18-4-7-24-15-20(18)21(23)11-19/h2-4,7,10-11,14-16,25H,5-6,8-9,12-13H2,1H3,(H,26,27) PVNIDTGGTDOTSU-UHFFFAOYSA-N 652504 8-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1208 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652504&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362692 494496653 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377324 CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3Cl)cn2)CC1 InChI=1S/C22H26ClN5/c1-28-10-7-16(8-11-28)12-26-21-5-2-17(14-27-21)13-25-20-4-3-18-15-24-9-6-19(18)22(20)23/h2-6,9,14-16,25H,7-8,10-13H2,1H3,(H,26,27) DVMDKOVGIYJULU-UHFFFAOYSA-N 652505 5-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1209 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652505&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362693 494496654 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377325 CN1CCC(CNc2ccc(CNc3cc(CO)c4cnccc4c3)cn2)CC1 InChI=1S/C23H29N5O/c1-28-8-5-17(6-9-28)12-26-23-3-2-18(14-27-23)13-25-21-10-19-4-7-24-15-22(19)20(11-21)16-29/h2-4,7,10-11,14-15,17,25,29H,5-6,8-9,12-13,16H2,1H3,(H,26,27) ODSQCNVIINTDDI-UHFFFAOYSA-N 652506 (6-(((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)amino)isoquinolin-8- yl)methanol::US20240059691, Example 1211 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652506&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362694 494496655 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377326 CN1CCC(CNc2ccc(CNc3cncc4[nH]ccc34)cn2)CC1 InChI=1S/C20H26N6/c1-26-8-5-15(6-9-26)10-24-20-3-2-16(12-25-20)11-23-19-14-21-13-18-17(19)4-7-22-18/h2-4,7,12-15,22-23H,5-6,8-11H2,1H3,(H,24,25) ICXJDHNNRWEYID-UHFFFAOYSA-N 652507 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H-pyrrolo[2,3- c]pyridin-4-amine::US20240059691, Example 1213 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652507&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362695 494496656 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377327 COc1ccc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2c1 InChI=1S/C23H29N5O/c1-28-11-8-17(9-12-28)14-26-23-6-3-18(16-27-23)15-25-21-7-10-24-22-13-19(29-2)4-5-20(21)22/h3-7,10,13,16-17H,8-9,11-12,14-15H2,1-2H3,(H,24,25)(H,26,27) PKYSKNQPNMACJN-UHFFFAOYSA-N 652508 7-methoxy-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)quinolin- 4-amine::US20240059691, Example 1217 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652508&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362696 494496657 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377328 CNc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)ccn1 InChI=1S/C19H28N6/c1-20-19-11-17(5-8-21-19)22-13-16-3-4-18(24-14-16)23-12-15-6-9-25(2)10-7-15/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,23,24)(H2,20,21,22) YJGVSRUWMTWYSN-UHFFFAOYSA-N 652509 N2-methyl-N4-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)pyridine- 2,4-diamine::US20240059691, Example 1219 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652509&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390326 494496658 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377329 CN1CCC(CNc2ccc(CNc3nccc4[nH]ccc34)cn2)CC1 InChI=1S/C20H26N6/c1-26-10-6-15(7-11-26)12-23-19-3-2-16(13-24-19)14-25-20-17-4-8-21-18(17)5-9-22-20/h2-5,8-9,13,15,21H,6-7,10-12,14H2,1H3,(H,22,25)(H,23,24) CFHMDIFNCPNJPN-UHFFFAOYSA-N 652510 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H-pyrrolo[3,2- c]pyridin-4-amine::US20240059691, Example 1223 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652510&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362697 494496659 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377330 CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3F)cn2)CC1 InChI=1S/C22H26FN5/c1-28-10-7-16(8-11-28)12-26-21-5-2-17(14-27-21)13-25-20-4-3-18-15-24-9-6-19(18)22(20)23/h2-6,9,14-16,25H,7-8,10-13H2,1H3,(H,26,27) DXCOONBXASCQJO-UHFFFAOYSA-N 652511 5-fluoro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1224 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652511&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362698 494496660 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377331 CN1CCC(CNc2ccc(CNc3ccnc4[nH]cc(C)c34)cn2)CC1 InChI=1S/C21H28N6/c1-15-11-26-21-20(15)18(5-8-22-21)23-13-17-3-4-19(25-14-17)24-12-16-6-9-27(2)10-7-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26) FVDDSGCNQITVMM-UHFFFAOYSA-N 652512 3-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1226 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652512&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362699 494496661 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377332 CN1CCC(CNc2ccc(CNc3cncc4[nH]c(C)cc34)cn2)CC1 InChI=1S/C21H28N6/c1-15-9-18-19(13-22-14-20(18)26-15)23-11-17-3-4-21(25-12-17)24-10-16-5-7-27(2)8-6-16/h3-4,9,12-14,16,23,26H,5-8,10-11H2,1-2H3,(H,24,25) VSXFBJUEISWNHO-UHFFFAOYSA-N 652513 2-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-c]pyridin-4-amine::US20240059691, Example 1232 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652513&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390377 494496662 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377333 CN1CCC(CNc2ccc(CNc3cc(cc4[nH]ccc34)C(F)(F)F)cn2)CC1 InChI=1S/C22H26F3N5/c1-30-8-5-15(6-9-30)12-28-21-3-2-16(14-29-21)13-27-20-11-17(22(23,24)25)10-19-18(20)4-7-26-19/h2-4,7,10-11,14-15,26-27H,5-6,8-9,12-13H2,1H3,(H,28,29) OSXYYQDMFROKLC-UHFFFAOYSA-N 652514 N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-6-(trifluoromethyl)- 1H-indol-4-amine::US20240059691, Example 1237 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652514&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362700 494496663 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377334 CCc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2[nH]1 InChI=1S/C22H30N6/c1-3-18-12-19-20(6-9-23-22(19)27-18)24-14-17-4-5-21(26-15-17)25-13-16-7-10-28(2)11-8-16/h4-6,9,12,15-16H,3,7-8,10-11,13-14H2,1-2H3,(H,25,26)(H2,23,24,27) ZJZOLACNWITWKJ-UHFFFAOYSA-N 652515 2-ethyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1239 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652515&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362701 494496664 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377335 CN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1 InChI=1S/C21H26ClN5/c1-27-8-5-15(6-9-27)12-25-21-3-2-16(14-26-21)13-24-20-11-17(22)10-19-18(20)4-7-23-19/h2-4,7,10-11,14-15,23-24H,5-6,8-9,12-13H2,1H3,(H,25,26) KAWMSCNPZACOEC-UHFFFAOYSA-N 652516 6-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H-indol-4- amine::US20240059691, Example 1241 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652516&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362702 494496665 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377336 CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(Cl)cc34)cn2)CC1 InChI=1S/C20H25ClN6/c1-27-8-5-14(6-9-27)11-24-19-3-2-15(13-25-19)12-23-17-4-7-22-20-16(17)10-18(21)26-20/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H,24,25)(H2,22,23,26) FCXNRNCBQJLWDJ-UHFFFAOYSA-N 652517 2-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo [2,3-b]pyridin-4-amine::US20240059691, Example 1243 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652517&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362703 494496666 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377337 CN1CCC(CNc2ccc(CNc3cc(F)c4c(N)nccc4c3)cn2)CC1 InChI=1S/C22H27FN6/c1-29-8-5-15(6-9-29)12-27-20-3-2-16(14-28-20)13-26-18-10-17-4-7-25-22(24)21(17)19(23)11-18/h2-4,7,10-11,14-15,26H,5-6,8-9,12-13H2,1H3,(H2,24,25)(H,27,28) YZLZPUCHZLJNNM-UHFFFAOYSA-N 652518 8-fluoro-N6-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1245 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652518&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362704 494496667 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377338 CN1CCC(CNc2ccc(CNc3cc(C)nc4[nH]ccc34)cn2)CC1 InChI=1S/C21H28N6/c1-15-11-19(18-5-8-22-21(18)26-15)23-13-17-3-4-20(25-14-17)24-12-16-6-9-27(2)10-7-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26) QNINDNUZAIYODL-UHFFFAOYSA-N 652519 6-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1246 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652519&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362705 494496668 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377339 COC(=O)c1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12 InChI=1S/C22H28N6O2/c1-28-9-6-15(7-10-28)11-25-19-4-3-16(13-26-19)12-24-18-5-8-23-21-20(18)17(14-27-21)22(29)30-2/h3-5,8,13-15H,6-7,9-12H2,1-2H3,(H,25,26)(H2,23,24,27) RYNBOZPKKSEGCY-UHFFFAOYSA-N 652520 US20240059691, Example 1248::methyl 4-(((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)amino)-1H- pyrrolo[2,3-b]pyridine-3-carboxylate Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652520&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362706 494496669 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377340 CN1CCC(COc2ccc(CNc3ccnc4[nH]c(C)cc34)cn2)CC1 InChI=1S/C21H27N5O/c1-15-11-18-19(5-8-22-21(18)25-15)23-12-17-3-4-20(24-13-17)27-14-16-6-9-26(2)10-7-16/h3-5,8,11,13,16H,6-7,9-10,12,14H2,1-2H3,(H2,22,23,25) CSOIEWKCRIAOFP-UHFFFAOYSA-N 652521 2-methyl-N-((6-((1-methylpiperidin-4-yl)methoxy)pyridin-3-yl)methyl)-1H-pyrrolo[2,3- b]pyridin-4-amine::US20240059691, Example 1249 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652521&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362707 494496670 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377341 COc1nnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C21H22N8O/c1-30-21-27-26-19-13-28(9-10-29(19)21)18-6-5-14(12-25-18)11-24-17-4-2-3-16-15(17)7-8-23-20(16)22/h2-8,12,24H,9-11,13H2,1H3,(H2,22,23) VARXLQCHRPURJT-UHFFFAOYSA-N 652522 N5-((6-(3-methoxy-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1250 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652522&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362708 494496671 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377342 CN1CCC(CNc2ccc(CNc3cncc4[nH]c(Cl)cc34)cn2)CC1 InChI=1S/C20H25ClN6/c1-27-6-4-14(5-7-27)9-24-20-3-2-15(11-25-20)10-23-17-12-22-13-18-16(17)8-19(21)26-18/h2-3,8,11-14,23,26H,4-7,9-10H2,1H3,(H,24,25) HGFUJSGIMRORNA-UHFFFAOYSA-N 652523 2-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-1H- pyrrolo[2,3-c]pyridin-4-amine::US20240059691, Example 1251 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652523&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390441 494496672 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377343 CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(cc34)C(N)=O)cn2)CC1 InChI=1S/C21H27N7O/c1-28-8-5-14(6-9-28)11-25-19-3-2-15(13-26-19)12-24-17-4-7-23-21-16(17)10-18(27-21)20(22)29/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H2,22,29)(H,25,26)(H2,23,24,27) AZSFOLIEUYXOIM-UHFFFAOYSA-N 652524 4-(((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)amino)-1H- pyrrolo[2,3-b]pyridine-2-carboxamide::US20240059691, Example 1252 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652524&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362709 494496673 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377344 CN1CCC(CNc2ccc(CNc3ncnc4[nH]c(C)cc34)cn2)CC1 InChI=1S/C20H27N7/c1-14-9-17-19(24-13-25-20(17)26-14)23-12-16-3-4-18(22-11-16)21-10-15-5-7-27(2)8-6-15/h3-4,9,11,13,15H,5-8,10,12H2,1-2H3,(H,21,22)(H2,23,24,25,26) NWYVADAYUACKJE-UHFFFAOYSA-N 652525 6-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-7H- pyrrolo[2,3-d]pyrimidin-4-amine::US20240059691, Example 1254 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652525&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362710 494496674 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377345 CN1CCC(CNc2ccc(CNc3c(C)cnc4[nH]c(Cl)cc34)cn2)CC1 InChI=1S/C21H27ClN6/c1-14-10-26-21-17(9-18(22)27-21)20(14)25-13-16-3-4-19(24-12-16)23-11-15-5-7-28(2)8-6-15/h3-4,9-10,12,15H,5-8,11,13H2,1-2H3,(H,23,24)(H2,25,26,27) IBIQIHTZQNFAJZ-UHFFFAOYSA-N 652526 2-chloro-5-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)- 1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1255 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652526&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362711 494496675 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377346 CN(c1ccc(NCC2CCN(C)CC2)nc1)c1cc(cc2[nH]ccc12)C#N InChI=1S/C22H26N6/c1-27-9-6-16(7-10-27)14-25-22-4-3-18(15-26-22)28(2)21-12-17(13-23)11-20-19(21)5-8-24-20/h3-5,8,11-12,15-16,24H,6-7,9-10,14H2,1-2H3,(H,25,26) KMGSVVLZZXBRIS-UHFFFAOYSA-N 652527 4-(methyl(6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)amino)-1H-indole-6- carbonitrile::US20240059691, Example 1256::US20240059691, Example 1259 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652527&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362712 494496676 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377347 CN1CCC(CNc2ccc(CNc3ccncc3)cn2)CC1 InChI=1S/C18H25N5/c1-23-10-6-15(7-11-23)12-21-18-3-2-16(14-22-18)13-20-17-4-8-19-9-5-17/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,19,20)(H,21,22) HIIDKOYKBYPIAD-UHFFFAOYSA-N 652528 N-((1-methylpiperidin-4-yl)methyl)-5-((pyridin-4-ylamino)methyl)pyridin-2-amine::US20240059691, Example 1258 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652528&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928472 494496677 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377348 CN1CCC(CNc2ccc(CNc3cc(cc4[nH]c(Cl)cc34)C(F)(F)F)cn2)CC1 InChI=1S/C22H25ClF3N5/c1-31-6-4-14(5-7-31)11-28-21-3-2-15(13-29-21)12-27-18-8-16(22(24,25)26)9-19-17(18)10-20(23)30-19/h2-3,8-10,13-14,27,30H,4-7,11-12H2,1H3,(H,28,29) LVUOLQMVRZXWQL-UHFFFAOYSA-N 652529 2-chloro-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)-6- (trifluoromethyl)-1H-indol-4-amine::US20240059691, Example 1262 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652529&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362713 494496678 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377349 CN1CCC(CNc2ccc(CNc3cc(nc4[nH]ccc34)C(O)=O)cn2)CC1 InChI=1S/C21H26N6O2/c1-27-8-5-14(6-9-27)11-24-19-3-2-15(13-25-19)12-23-17-10-18(21(28)29)26-20-16(17)4-7-22-20/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H,24,25)(H,28,29)(H2,22,23,26) NEZXKNOMWDQBLX-UHFFFAOYSA-N 652530 4-(((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)amino)-1H- pyrrolo [2,3-b]pyridine-6-carboxylic acid::US20240059691, Example 1263 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652530&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362714 494496679 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377350 Nc1nccc2c(NCc3ccc(nc3)N3CCC(CC(F)F)C3)cccc12 InChI=1S/C21H23F2N5/c22-19(23)10-14-7-9-28(13-14)20-5-4-15(12-27-20)11-26-18-3-1-2-17-16(18)6-8-25-21(17)24/h1-6,8,12,14,19,26H,7,9-11,13H2,(H2,24,25) MVLCYOKJALGQGT-UHFFFAOYSA-N 652531 N5-((6-(3-(2,2-difluoroethyl)pyrrolidin-1-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1265 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652531&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928356 494496680 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377351 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCC(CC(F)F)C3)ccc12 InChI=1S/C21H22ClF2N5/c22-18-11-28-21(25)16-3-2-15(8-17(16)18)26-9-14-1-4-20(27-10-14)29-6-5-13(12-29)7-19(23)24/h1-4,8,10-11,13,19,26H,5-7,9,12H2,(H2,25,28) KDVBJPKZCZCFAN-UHFFFAOYSA-N 652532 4-chloro-N6-((6-(3-(2,2-difluoroethyl)pyrrolidin-1-yl)pyridin-3-yl)methyl)isoquinoline- 1,6-diamine::US20240059691, Example 1266 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652532&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362715 494496681 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377352 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4ncc(O)c4C3)ccc12 InChI=1S/C21H20ClN7O/c22-17-10-26-21(23)15-3-2-14(7-16(15)17)24-8-13-1-4-20(25-9-13)28-5-6-29-18(12-28)19(30)11-27-29/h1-4,7,9-11,24,30H,5-6,8,12H2,(H2,23,26) ADUOAROXLDRSRP-UHFFFAOYSA-N 652533 5-(5-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)pyridin-2-yl)-4,5,6,7- tetrahydropyrazolo[1,5-a]pyrazin-3-ol::US20240059691, Example 1267 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652533&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362716 494496682 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377353 Nc1nccc2c(NCc3ccc(nc3)N3CCn4nccc4C3CO)cccc12 InChI=1S/C22H23N7O/c23-22-17-2-1-3-18(16(17)6-8-24-22)25-12-15-4-5-21(26-13-15)28-10-11-29-19(7-9-27-29)20(28)14-30/h1-9,13,20,25,30H,10-12,14H2,(H2,23,24) CAWZCEFZKOCTQR-UHFFFAOYSA-N 652534 (5-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-4,5,6,7- tetrahydropyrazolo[1,5-a]pyrazin-4-yl)methanol::US20240059691, Example 1268 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652534&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362717 494496683 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377354 Nc1nccc2c(NCc3ccc(nc3)N3CCn4ncc(CO)c4C3)cccc12 InChI=1S/C22H23N7O/c23-22-18-2-1-3-19(17(18)6-7-24-22)25-10-15-4-5-21(26-11-15)28-8-9-29-20(13-28)16(14-30)12-27-29/h1-7,11-12,25,30H,8-10,13-14H2,(H2,23,24) VIUASCZPJYFLLF-UHFFFAOYSA-N 652535 (5-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-4,5,6,7- tetrahydropyrazolo[1,5-a]pyrazin-3-yl)methanol::US20240059691, Example 1269 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652535&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362718 494496684 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377355 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CC4(C3)CC(O)c3nccn43)ccc12 InChI=1S/C23H22ClN7O/c24-18-11-29-21(25)16-3-2-15(7-17(16)18)27-9-14-1-4-20(28-10-14)30-12-23(13-30)8-19(32)22-26-5-6-31(22)23/h1-7,10-11,19,27,32H,8-9,12-13H2,(H2,25,29) GVDJCUMMMLEGOV-UHFFFAOYSA-N 652536 1-(5-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)pyridin-2-yl)-6',7'- dihydrospiro[azetidine-3,5'-pyrrolo[1,2-a]imidazol]-7'-ol::US20240059691, Example 1270 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652536&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362719 494496685 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377356 Nc1nccc2c(NCc3ccc(nc3)N3CCc4nccn4CC3)cccc12 InChI=1S/C22H23N7/c23-22-18-2-1-3-19(17(18)6-8-25-22)26-14-16-4-5-20(27-15-16)28-10-7-21-24-9-11-29(21)13-12-28/h1-6,8-9,11,15,26H,7,10,12-14H2,(H2,23,25) XWDIPHXELLKWBS-UHFFFAOYSA-N 652537 N5-((6-(5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepin-7-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1271 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652537&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362720 494496686 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377357 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCc4nccn4CC3)ccc12 InChI=1S/C22H22ClN7/c23-19-14-28-22(24)17-3-2-16(11-18(17)19)26-12-15-1-4-20(27-13-15)29-7-5-21-25-6-8-30(21)10-9-29/h1-4,6,8,11,13-14,26H,5,7,9-10,12H2,(H2,24,28) WNQXYNFRIYHSDI-UHFFFAOYSA-N 652538 4-chloro-N6-((6-(5,6,8,9-tetrahydro-7H-imidazo[1,2-d][1,4]diazepin-7-yl)pyridin-3- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1272 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652538&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362721 494496687 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377358 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4nccc4C3CO)ccc12 InChI=1S/C22H22ClN7O/c23-18-12-27-22(24)16-3-2-15(9-17(16)18)25-10-14-1-4-21(26-11-14)29-7-8-30-19(5-6-28-30)20(29)13-31/h1-6,9,11-12,20,25,31H,7-8,10,13H2,(H2,24,27) ZYINTEFXTIDKCX-UHFFFAOYSA-N 652539 (5-(5-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)pyridin-2-yl)-4,5,6,7- tetrahydropyrazolo[1,5-a]pyrazin-4-yl)methanol::US20240059691, Example 1273 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652539&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362722 494496688 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377359 Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)F)cccc12 InChI=1S/C21H20F2N8/c22-19(23)21-29-28-18-12-30(8-9-31(18)21)17-5-4-13(11-27-17)10-26-16-3-1-2-15-14(16)6-7-25-20(15)24/h1-7,11,19,26H,8-10,12H2,(H2,24,25) KPFQKUFJYSBYBL-UHFFFAOYSA-N 652540 N5-((6-(3-(difluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1274 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652540&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390499 494496689 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377360 Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C21H19F3N8/c22-21(23,24)20-30-29-18-12-31(8-9-32(18)20)17-5-4-13(11-28-17)10-27-16-3-1-2-15-14(16)6-7-26-19(15)25/h1-7,11,27H,8-10,12H2,(H2,25,26) SJKSASQLXWHGFH-UHFFFAOYSA-N 652541 N5-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1275 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652541&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362723 494496690 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377361 Nc1nccc2c(NCc3ccc(nc3)N3CCn4cnnc4C3)cccc12 InChI=1S/C20H20N8/c21-20-16-2-1-3-17(15(16)6-7-22-20)23-10-14-4-5-18(24-11-14)27-8-9-28-13-25-26-19(28)12-27/h1-7,11,13,23H,8-10,12H2,(H2,21,22) KCIOIUFLNNRKTB-UHFFFAOYSA-N 652542 N5-((6-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1276 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652542&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362724 494496691 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377362 FC(F)c1nnc2CN(CCn12)c1ccc(CNc2ccnc3[nH]c(Cl)cc23)cn1 InChI=1S/C19H17ClF2N8/c20-14-7-12-13(3-4-23-18(12)26-14)24-8-11-1-2-15(25-9-11)29-5-6-30-16(10-29)27-28-19(30)17(21)22/h1-4,7,9,17H,5-6,8,10H2,(H2,23,24,26) UPPRVHQOSXWZLP-UHFFFAOYSA-N 652543 2-chloro-N-((6-(3-(difluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1277 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652543&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362725 494496692 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377363 Cc1cc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)F)ccnc2[nH]1 InChI=1S/C20H20F2N8/c1-12-8-14-15(4-5-23-19(14)26-12)24-9-13-2-3-16(25-10-13)29-6-7-30-17(11-29)27-28-20(30)18(21)22/h2-5,8,10,18H,6-7,9,11H2,1H3,(H2,23,24,26) GCECYENXVZLRPW-UHFFFAOYSA-N 652544 N-((6-(3-(difluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1278 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652544&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390199 494496693 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377364 Cc1nnc2CN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C21H22N8/c1-14-26-27-20-13-28(9-10-29(14)20)19-6-5-15(12-25-19)11-24-18-4-2-3-17-16(18)7-8-23-21(17)22/h2-8,12,24H,9-11,13H2,1H3,(H2,22,23) SXVRJEWRROULBO-UHFFFAOYSA-N 652545 N5-((6-(3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1279 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652545&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362726 494496694 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377365 FC(F)(F)c1nnc2CN(CCn12)c1ccc(CNc2ccnc3[nH]c(Cl)cc23)cn1 InChI=1S/C19H16ClF3N8/c20-14-7-12-13(3-4-24-17(12)27-14)25-8-11-1-2-15(26-9-11)30-5-6-31-16(10-30)28-29-18(31)19(21,22)23/h1-4,7,9H,5-6,8,10H2,(H2,24,25,27) QSWJYWCLHVAJEZ-UHFFFAOYSA-N 652546 2-chloro-N-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1280 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652546&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362727 494496695 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377366 CNc1cc(NCc2ccc(nc2)N2CCn3c(C2)nnc3C(F)F)ccn1 InChI=1S/C18H20F2N8/c1-21-14-8-13(4-5-22-14)23-9-12-2-3-15(24-10-12)27-6-7-28-16(11-27)25-26-18(28)17(19)20/h2-5,8,10,17H,6-7,9,11H2,1H3,(H2,21,22,23) MVTSWVVCDNHUJS-UHFFFAOYSA-N 652547 N4-((6-(3-(difluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)-N2-methylpyridine-2,4-diamine::US20240059691, Example 1281 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652547&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362728 494496696 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377367 Cc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-9-18(32-7-8-33-19(12-32)30-31-21(33)22(23,24)25)29-11-14(13)10-28-17-4-2-3-16-15(17)5-6-27-20(16)26/h2-6,9,11,28H,7-8,10,12H2,1H3,(H2,26,27) XGBLRGJOWPDUDW-UHFFFAOYSA-N 652548 N5-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1282 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652548&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390231 494496697 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377368 FC(F)(F)c1nnc2CN(CCn12)c1ccc(CNc2ccc3cnccc3c2)cn1 InChI=1S/C21H18F3N7/c22-21(23,24)20-29-28-19-13-30(7-8-31(19)20)18-4-1-14(11-27-18)10-26-17-3-2-16-12-25-6-5-15(16)9-17/h1-6,9,11-12,26H,7-8,10,13H2 NWQFBSICCGLHCE-UHFFFAOYSA-N 652549 N-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)isoquinolin-6-amine::US20240059691, Example 1283 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652549&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362729 494496698 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377369 Cc1nc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-14(11-28-17-4-2-3-16-15(17)7-8-27-20(16)26)5-6-18(29-13)32-9-10-33-19(12-32)30-31-21(33)22(23,24)25/h2-8,28H,9-12H2,1H3,(H2,26,27) BGYKTPXLTQILOF-UHFFFAOYSA-N 652550 N5-((2-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1284 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652550&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362730 494496699 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377370 CC1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-20-30-31-21(22(23,24)25)33(20)10-9-32(13)18-6-5-14(12-29-18)11-28-17-4-2-3-16-15(17)7-8-27-19(16)26/h2-8,12-13,28H,9-11H2,1H3,(H2,26,27) BKGCNONNVNNPCJ-UHFFFAOYSA-N 652551 N5-((6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1285 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652551&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362731 494496700 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377371 Cn1ncc2CN(CCc12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H23N7/c1-28-20-8-10-29(14-16(20)13-27-28)21-6-5-15(12-26-21)11-25-19-4-2-3-18-17(19)7-9-24-22(18)23/h2-7,9,12-13,25H,8,10-11,14H2,1H3,(H2,23,24) XZQLWSAQKCFLPX-UHFFFAOYSA-N 652552 N5-((6-(1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1286 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652552&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362732 494496701 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377372 CC1CN(Cc2nnc(n12)C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-11-32(12-19-30-31-21(33(13)19)22(23,24)25)18-6-5-14(10-29-18)9-28-17-4-2-3-16-15(17)7-8-27-20(16)26/h2-8,10,13,28H,9,11-12H2,1H3,(H2,26,27) GLWZFGZVOWCXPQ-UHFFFAOYSA-N 652553 N5-((6-(5-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1287 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652553&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362733 494496702 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377373 CC(C)(O)c1cn(nn1)-c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C20H21N7O/c1-20(2,28)17-12-27(26-25-17)18-7-6-13(11-24-18)10-23-16-5-3-4-15-14(16)8-9-22-19(15)21/h3-9,11-12,23,28H,10H2,1-2H3,(H2,21,22) CDYZNSWIRQYQNB-UHFFFAOYSA-N 652554 2-(1-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-1H-1,2,3-triazol-4- yl)propan-2-ol::US20240059691, Example 1291 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652554&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362734 494496703 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377374 C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-20-30-31-21(22(23,24)25)33(20)10-9-32(13)18-6-5-14(12-29-18)11-28-17-4-2-3-16-15(17)7-8-27-19(16)26/h2-8,12-13,28H,9-11H2,1H3,(H2,26,27)/t13-/m1/s1 BKGCNONNVNNPCJ-CYBMUJFWSA-N 652555 (R*)-N5-((6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1294::US20240059691, Example 1296 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652555&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362735 494496704 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377375 C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-20-30-31-21(22(23,24)25)33(20)10-9-32(13)18-6-5-14(12-29-18)11-28-17-4-2-3-16-15(17)7-8-27-19(16)26/h2-8,12-13,28H,9-11H2,1H3,(H2,26,27)/t13-/m0/s1 BKGCNONNVNNPCJ-ZDUSSCGKSA-N 652556 (S*)-N5-((6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1295 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652556&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362736 494496705 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377376 C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-20-30-31-21(22(23,24)25)33(20)10-9-32(13)18-6-5-14(12-29-18)11-28-17-4-2-3-16-15(17)7-8-27-19(16)26/h2-8,12-13,28H,9-11H2,1H3,(H2,26,27)/t13-/m1/s1 BKGCNONNVNNPCJ-CYBMUJFWSA-N 652555 (R*)-N5-((6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1294::US20240059691, Example 1296 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652555&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362735 494496704 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377377 C[C@H]1CN(Cc2nnc(n12)C(F)(F)F)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H21F3N8/c1-13-11-32(12-19-30-31-21(33(13)19)22(23,24)25)18-6-5-14(10-29-18)9-28-17-4-2-3-16-15(17)7-8-27-20(16)26/h2-8,10,13,28H,9,11-12H2,1H3,(H2,26,27)/t13-/m0/s1 GLWZFGZVOWCXPQ-ZDUSSCGKSA-N 652558 (S*)-N5-((6-(5-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1297 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652558&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362737 494496706 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377378 Nc1nccc2c(NCc3ccc(nc3C(F)(F)F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C22H18F6N8/c23-21(24,25)18-12(10-31-15-3-1-2-14-13(15)6-7-30-19(14)29)4-5-16(32-18)35-8-9-36-17(11-35)33-34-20(36)22(26,27)28/h1-7,31H,8-11H2,(H2,29,30) FTZQENZGWYGYSA-UHFFFAOYSA-N 652559 N5-((2-(trifluoromethyl)-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1298 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652559&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362738 494496707 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377379 Nc1nccc2c(NCc3cnc(cc3Cl)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C21H18ClF3N8/c22-15-8-17(32-6-7-33-18(11-32)30-31-20(33)21(23,24)25)29-10-12(15)9-28-16-3-1-2-14-13(16)4-5-27-19(14)26/h1-5,8,10,28H,6-7,9,11H2,(H2,26,27) COGDLYORVLPAJK-UHFFFAOYSA-N 652560 N5-((4-chloro-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1299 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652560&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390271 494496708 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377380 Nc1nccc2c(NCc3ccc(cc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C22H20F3N7/c23-22(24,25)21-30-29-19-13-31(10-11-32(19)21)15-6-4-14(5-7-15)12-28-18-3-1-2-17-16(18)8-9-27-20(17)26/h1-9,28H,10-13H2,(H2,26,27) WDKUDBORIDKNNF-UHFFFAOYSA-N 652561 N5-(4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)benzyl)isoquinoline-1,5-diamine::US20240059691, Example 1300 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652561&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362739 494496709 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377381 Nc1nccc2c(NCc3cnc(cc3C(F)(F)F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C22H18F6N8/c23-21(24,25)15-8-17(35-6-7-36-18(11-35)33-34-20(36)22(26,27)28)32-10-12(15)9-31-16-3-1-2-14-13(16)4-5-30-19(14)29/h1-5,8,10,31H,6-7,9,11H2,(H2,29,30) SXIFTOXSOJHIGC-UHFFFAOYSA-N 652562 N5-((4-(trifluoromethyl)-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1301 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652562&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362740 494496710 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377382 Cc1cc(CNc2cccc3c(N)nccc23)cnc1N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-9-14(10-28-17-4-2-3-16-15(17)5-6-27-19(16)26)11-29-20(13)32-7-8-33-18(12-32)30-31-21(33)22(23,24)25/h2-6,9,11,28H,7-8,10,12H2,1H3,(H2,26,27) SVNOPUCNGHXZDH-UHFFFAOYSA-N 652563 N5-((5-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1302 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652563&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362741 494496711 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377383 CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C23H23F3N8/c1-13-10-19(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)30-12-15(13)11-29-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10,12,14,29H,8-9,11H2,1-2H3,(H2,27,28) VQSLCEFIEDDAEK-UHFFFAOYSA-N 652564 N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1303 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652564&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390391 494496712 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377384 C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C23H23F3N8/c1-13-10-19(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)30-12-15(13)11-29-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10,12,14,29H,8-9,11H2,1-2H3,(H2,27,28)/t14-/m1/s1 VQSLCEFIEDDAEK-CQSZACIVSA-N 652565 (R*)-N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1304 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652565&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100186 494496713 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377385 C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C23H23F3N8/c1-13-10-19(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)30-12-15(13)11-29-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10,12,14,29H,8-9,11H2,1-2H3,(H2,27,28)/t14-/m0/s1 VQSLCEFIEDDAEK-AWEZNQCLSA-N 652566 (S*)-N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1305 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652566&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100196 494496714 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377386 Nc1nccc2c(NCc3cnc(cc3C3CC3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C24H23F3N8/c25-24(26,27)23-33-32-21-13-34(8-9-35(21)23)20-10-18(14-4-5-14)15(12-31-20)11-30-19-3-1-2-17-16(19)6-7-29-22(17)28/h1-3,6-7,10,12,14,30H,4-5,8-9,11,13H2,(H2,28,29) UUQKDUWBLVOKMB-UHFFFAOYSA-N 652567 N5-((4-cyclopropyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1307 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652567&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362742 494496715 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377387 CC(C)c1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C24H25F3N8/c1-14(2)18-10-20(34-8-9-35-21(13-34)32-33-23(35)24(25,26)27)31-12-15(18)11-30-19-5-3-4-17-16(19)6-7-29-22(17)28/h3-7,10,12,14,30H,8-9,11,13H2,1-2H3,(H2,28,29) XXUBOOYGPQPCFK-UHFFFAOYSA-N 652568 N5-((4-isopropyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1308 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652568&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362743 494496716 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377388 CCc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C23H23F3N8/c1-2-14-10-19(33-8-9-34-20(13-33)31-32-22(34)23(24,25)26)30-12-15(14)11-29-18-5-3-4-17-16(18)6-7-28-21(17)27/h3-7,10,12,29H,2,8-9,11,13H2,1H3,(H2,27,28) KHKMNGWOVOQDJO-UHFFFAOYSA-N 652569 N5-((4-ethyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1309 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652569&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362744 494496717 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377389 Cc1nnc2CCN(CCn12)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H24N8/c1-15-27-28-21-8-10-29(11-12-30(15)21)20-6-5-16(14-26-20)13-25-19-4-2-3-18-17(19)7-9-24-22(18)23/h2-7,9,14,25H,8,10-13H2,1H3,(H2,23,24) VUBGTMAUYWLQML-UHFFFAOYSA-N 652570 N5-((6-(3-methyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)pyridin- 3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1310 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652570&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362745 494496718 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377390 CC1Cn2c(CN1c1ccc(CNc3cccc4c(N)nccc34)cn1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-11-33-19(30-31-21(33)22(23,24)25)12-32(13)18-6-5-14(10-29-18)9-28-17-4-2-3-16-15(17)7-8-27-20(16)26/h2-8,10,13,28H,9,11-12H2,1H3,(H2,26,27) XJQRMRHZSXMGED-UHFFFAOYSA-N 652571 N5-((6-(6-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1311 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652571&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390487 494496719 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377391 Nc1nccc2c(NCc3ccc(nc3)N3CCn4ncc(O)c4C3)cccc12 InChI=1S/C21H21N7O/c22-21-16-2-1-3-17(15(16)6-7-23-21)24-10-14-4-5-20(25-11-14)27-8-9-28-18(13-27)19(29)12-26-28/h1-7,11-12,24,29H,8-10,13H2,(H2,22,23) ZVTGWYQGHKXHGR-UHFFFAOYSA-N 652572 5-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2-yl)-4,5,6,7- tetrahydropyrazolo[1,5-a]pyrazin-3-ol::US20240059691, Example 1312 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652572&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362746 494496720 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377392 Cc1cc(ncc1CNc1ccnc2[nH]c(Cl)cc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C20H18ClF3N8/c1-11-6-16(31-4-5-32-17(10-31)29-30-19(32)20(22,23)24)27-9-12(11)8-26-14-2-3-25-18-13(14)7-15(21)28-18/h2-3,6-7,9H,4-5,8,10H2,1H3,(H2,25,26,28) IPMBKJBCZMJJID-UHFFFAOYSA-N 652573 2-chloro-N-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1313 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652573&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390400 494496721 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377393 CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1 652574 2-chloro-N-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1314 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652574&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390201 494496722 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377394 C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1 InChI=1S/C21H20ClF3N8/c1-11-7-17(32-5-6-33-19(12(32)2)30-31-20(33)21(23,24)25)28-10-13(11)9-27-15-3-4-26-18-14(15)8-16(22)29-18/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H2,26,27,29)/t12-/m1/s1 CBWMWWWCCMJVQL-GFCCVEGCSA-N 652575 (R*)-2-chloro-N-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4- amine::US20240059691, Example 1315 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652575&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100190 494496723 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377395 C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2ccnc3[nH]c(Cl)cc23)cn1 InChI=1S/C21H20ClF3N8/c1-11-7-17(32-5-6-33-19(12(32)2)30-31-20(33)21(23,24)25)28-10-13(11)9-27-15-3-4-26-18-14(15)8-16(22)29-18/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H2,26,27,29)/t12-/m0/s1 CBWMWWWCCMJVQL-LBPRGKRZSA-N 652576 (S*)-2-chloro-N-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4- amine::US20240059691, Example 1316 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652576&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100185 494496724 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377396 Nc1nccc2c(NCc3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)nccc12 InChI=1S/C20H18F3N9/c21-20(22,23)19-30-29-16-11-31(7-8-32(16)19)15-2-1-12(9-27-15)10-28-18-14-4-5-25-17(24)13(14)3-6-26-18/h1-6,9H,7-8,10-11H2,(H2,24,25)(H,26,28) AJNJITCNKSUDRP-UHFFFAOYSA-N 652577 N1-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)methyl)-2,6-naphthyridine-1,5-diamine::US20240059691, Example 1318 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652577&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362747 494496725 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377397 COCC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8O/c1-14-10-20(34-8-9-35-22(19(34)13-36-2)32-33-23(35)24(25,26)27)31-12-15(14)11-30-18-5-3-4-17-16(18)6-7-29-21(17)28/h3-7,10,12,19,30H,8-9,11,13H2,1-2H3,(H2,28,29) OKKPHMPYRLURBZ-UHFFFAOYSA-N 652578 N5-((6-(8-(methoxymethyl)-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1319 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652578&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362748 494496726 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377398 CC[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8/c1-3-19-22-32-33-23(24(25,26)27)35(22)10-9-34(19)20-11-14(2)15(13-31-20)12-30-18-6-4-5-17-16(18)7-8-29-21(17)28/h4-8,11,13,19,30H,3,9-10,12H2,1-2H3,(H2,28,29)/t19-/m1/s1 MDQGIQALRKZEIZ-LJQANCHMSA-N 652579 (R*)-N5-((6-(8-ethyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1320 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652579&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362749 494496727 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377399 CC[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8/c1-3-19-22-32-33-23(24(25,26)27)35(22)10-9-34(19)20-11-14(2)15(13-31-20)12-30-18-6-4-5-17-16(18)7-8-29-21(17)28/h4-8,11,13,19,30H,3,9-10,12H2,1-2H3,(H2,28,29)/t19-/m0/s1 MDQGIQALRKZEIZ-IBGZPJMESA-N 652580 (S*)-N5-((6-(8-ethyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1321 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652580&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362750 494496728 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377400 Cc1cc(ncc1CNc1ccc2nccn2c1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C20H19F3N8/c1-13-8-17(30-6-7-31-18(12-30)27-28-19(31)20(21,22)23)26-10-14(13)9-25-15-2-3-16-24-4-5-29(16)11-15/h2-5,8,10-11,25H,6-7,9,12H2,1H3 GSUNEMFLRRGKFR-UHFFFAOYSA-N 652581 N-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)imidazo[1,2-a]pyridin-6-amine::US20240059691, Example 1322 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652581&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362751 494496729 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377401 Cc1cc(ncc1CNc1ccnc(N)c1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C18H19F3N8/c1-11-6-15(25-9-12(11)8-24-13-2-3-23-14(22)7-13)28-4-5-29-16(10-28)26-27-17(29)18(19,20)21/h2-3,6-7,9H,4-5,8,10H2,1H3,(H3,22,23,24) KTWWCDDLRQMPJH-UHFFFAOYSA-N 652582 N4-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)pyridine-2,4-diamine::US20240059691, Example 1323 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652582&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362752 494496730 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377402 CCC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8/c1-3-19-22-32-33-23(24(25,26)27)35(22)10-9-34(19)20-11-14(2)15(13-31-20)12-30-18-6-4-5-17-16(18)7-8-29-21(17)28/h4-8,11,13,19,30H,3,9-10,12H2,1-2H3,(H2,28,29) MDQGIQALRKZEIZ-UHFFFAOYSA-N 652583 N5-((6-(8-ethyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4- methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1331 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652583&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362753 494496731 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377403 CN(Cc1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F)c1cccc2c(N)nccc12 InChI=1S/C22H21F3N8/c1-31(17-4-2-3-16-15(17)7-8-27-20(16)26)12-14-5-6-18(28-11-14)32-9-10-33-19(13-32)29-30-21(33)22(23,24)25/h2-8,11H,9-10,12-13H2,1H3,(H2,26,27) KQMBIPMOCLQTTQ-UHFFFAOYSA-N 652584 N5-methyl-N5-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1332 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652584&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362754 494496732 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377404 Cc1cc(ncc1CNc1ccc2c(N)nccc2c1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-8-18(32-6-7-33-19(12-32)30-31-21(33)22(23,24)25)29-11-15(13)10-28-16-2-3-17-14(9-16)4-5-27-20(17)26/h2-5,8-9,11,28H,6-7,10,12H2,1H3,(H2,26,27) WSBPPCJZSQDBSX-UHFFFAOYSA-N 652585 N6-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1333 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652585&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362755 494496733 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377405 Cc1cc(ncc1CNc1ccc2c(N)ncc(Cl)c2c1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H20ClF3N8/c1-12-6-18(33-4-5-34-19(11-33)31-32-21(34)22(24,25)26)29-9-13(12)8-28-14-2-3-15-16(7-14)17(23)10-30-20(15)27/h2-3,6-7,9-10,28H,4-5,8,11H2,1H3,(H2,27,30) TWSDJMWIZJBLHV-UHFFFAOYSA-N 652586 4-chloro-N6-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 1334 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652586&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362756 494496734 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377406 Nc1nccc2c(NCc3cnc(N4CCn5c(C4)nnc5C(F)(F)F)c(CO)c3)cccc12 InChI=1S/C22H21F3N8O/c23-22(24,25)21-31-30-18-11-32(6-7-33(18)21)20-14(12-34)8-13(10-29-20)9-28-17-3-1-2-16-15(17)4-5-27-19(16)26/h1-5,8,10,28,34H,6-7,9,11-12H2,(H2,26,27) QMKBLLYFSWTJBU-UHFFFAOYSA-N 652587 (5-(((1-aminoisoquinolin-5-yl)amino)methyl)-2-(3-(trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3-yl)methanol::US20240059691, Example 1335 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652587&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362757 494496735 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377407 CCc1nc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C23H23F3N8/c1-2-17-14(12-29-18-5-3-4-16-15(18)8-9-28-21(16)27)6-7-19(30-17)33-10-11-34-20(13-33)31-32-22(34)23(24,25)26/h3-9,29H,2,10-13H2,1H3,(H2,27,28) OLXHVCRBTWFGAM-UHFFFAOYSA-N 652588 N5-((2-ethyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1336 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652588&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362758 494496736 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377408 Nc1nccc2c(NS(=O)(=O)c3ccc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C20H17F3N8O2S/c21-20(22,23)19-28-27-17-11-30(8-9-31(17)19)16-5-4-12(10-26-16)34(32,33)29-15-3-1-2-14-13(15)6-7-25-18(14)24/h1-7,10,29H,8-9,11H2,(H2,24,25) MKWIJIXXJCKZNG-UHFFFAOYSA-N 652589 N-(1-aminoisoquinolin-5-yl)-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridine-3-sulfonamide::US20240059691, Example 1337 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652589&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362759 494496737 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377409 Cc1cc(ncc1CNc1ccnc2NCCc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C20H21F3N8/c1-12-8-16(30-6-7-31-17(11-30)28-29-19(31)20(21,22)23)27-10-13(12)9-26-15-3-5-25-18-14(15)2-4-24-18/h3,5,8,10H,2,4,6-7,9,11H2,1H3,(H2,24,25,26) FCOWFBTXRKUFME-UHFFFAOYSA-N 652590 N-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)methyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-amine::US20240059691, Example 1339 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652590&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362760 494496738 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377410 Cc1cc2c(NCc3cnc(cc3C)N3CCn4c(C3)nnc4C(F)(F)F)cncc2[nH]1 InChI=1S/C21H21F3N8/c1-12-5-18(31-3-4-32-19(11-31)29-30-20(32)21(22,23)24)27-8-14(12)7-26-16-9-25-10-17-15(16)6-13(2)28-17/h5-6,8-10,26,28H,3-4,7,11H2,1-2H3 BSYGQRQUDPTXKF-UHFFFAOYSA-N 652591 2-methyl-N-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)-1H-pyrrolo[2,3-c]pyridin-4-amine::US20240059691, Example 1341 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652591&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362761 494496739 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377411 C[C@@H]1Cn2c(CN1c1cc(C)c(CNc3cccc4c(N)nccc34)cn1)nnc2C(F)(F)F InChI=1S/C23H23F3N8/c1-13-8-19(33-12-20-31-32-22(23(24,25)26)34(20)11-14(33)2)30-10-15(13)9-29-18-5-3-4-17-16(18)6-7-28-21(17)27/h3-8,10,14,29H,9,11-12H2,1-2H3,(H2,27,28)/t14-/m1/s1 VIHAKVZBNUYTPP-CQSZACIVSA-N 652592 (R)-N5-((4-methyl-6-(6-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1342 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652592&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362762 494496740 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377412 COC[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8O/c1-14-10-20(34-8-9-35-22(19(34)13-36-2)32-33-23(35)24(25,26)27)31-12-15(14)11-30-18-5-3-4-17-16(18)6-7-29-21(17)28/h3-7,10,12,19,30H,8-9,11,13H2,1-2H3,(H2,28,29)/t19-/m1/s1 OKKPHMPYRLURBZ-LJQANCHMSA-N 652593 (S*)-N5-((6-(8-(methoxymethyl)-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1343 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652593&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362763 494496741 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377413 COC[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C24H25F3N8O/c1-14-10-20(34-8-9-35-22(19(34)13-36-2)32-33-23(35)24(25,26)27)31-12-15(14)11-30-18-5-3-4-17-16(18)6-7-29-21(17)28/h3-7,10,12,19,30H,8-9,11,13H2,1-2H3,(H2,28,29)/t19-/m0/s1 OKKPHMPYRLURBZ-IBGZPJMESA-N 652594 (R*)-N5-((6-(8-(methoxymethyl)-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)-4-methylpyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1344 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652594&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362764 494496742 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377414 C[C@H]1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1 InChI=1S/C23H23F3N8/c1-13-10-15(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)11-29-19(13)12-30-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10-11,14,30H,8-9,12H2,1-2H3,(H2,27,28)/t14-/m1/s1 WIACSVSMZOIFQN-CQSZACIVSA-N 652595 (R*)-N5-((3-methyl-5-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1345 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652595&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362765 494496743 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377415 C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1 InChI=1S/C23H23F3N8/c1-13-10-15(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)11-29-19(13)12-30-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10-11,14,30H,8-9,12H2,1-2H3,(H2,27,28)/t14-/m0/s1 WIACSVSMZOIFQN-AWEZNQCLSA-N 652596 (S*)-N5-((3-methyl-5-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3- a]pyrazin-7(8H)-yl)pyridin-2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1346 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652596&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362766 494496744 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377416 CN1CCC(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1 InChI=1S/C24H30N4/c1-28-14-11-19(12-15-28)3-2-18-4-6-20(7-5-18)17-27-22-8-9-23-21(16-22)10-13-26-24(23)25/h4-10,13,16,19,27H,2-3,11-12,14-15,17H2,1H3,(H2,25,26) JRGKULXTRBRGAB-UHFFFAOYSA-N 652597 6-N-({4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 2177 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652597&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390290 494496745 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377417 CN1CCC(CCc2ccc(CNc3cccc4c(N)nccc34)cc2)CC1 InChI=1S/C24H30N4/c1-28-15-12-19(13-16-28)6-5-18-7-9-20(10-8-18)17-27-23-4-2-3-22-21(23)11-14-26-24(22)25/h2-4,7-11,14,19,27H,5-6,12-13,15-17H2,1H3,(H2,25,26) ADOGWSXMKPYQAU-UHFFFAOYSA-N 652598 5-N-({4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 2178 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652598&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928437 494496746 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377418 CN1CCN(CC1)C(=O)Cc1ccc(CNc2ccc3c(N)nccc3c2)cc1 InChI=1S/C23H27N5O/c1-27-10-12-28(13-11-27)22(29)14-17-2-4-18(5-3-17)16-26-20-6-7-21-19(15-20)8-9-25-23(21)24/h2-9,15,26H,10-14,16H2,1H3,(H2,24,25) VMCOQPKFNGBOQZ-UHFFFAOYSA-N 652599 2-(4-{[(1-aminoisoquinolin-6-yl)amino]methyl}phenyl)-1-(4-methylpiperazin-1- yl)ethanone::US20240059691, Example 2179 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652599&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362767 494496747 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377419 CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1 InChI=1S/C23H29N5/c1-27-12-14-28(15-13-27)11-9-18-2-4-19(5-3-18)17-26-21-6-7-22-20(16-21)8-10-25-23(22)24/h2-8,10,16,26H,9,11-15,17H2,1H3,(H2,24,25) AVJAMPWYKFEYGP-UHFFFAOYSA-N 652600 6-N-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 2180 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652600&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928483 494496748 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377420 CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1 InChI=1S/C23H28FN5/c1-28-10-12-29(13-11-28)9-7-17-2-3-19(22(24)14-17)16-27-20-4-5-21-18(15-20)6-8-26-23(21)25/h2-6,8,14-15,27H,7,9-13,16H2,1H3,(H2,25,26) QEKIKQCZDOHATQ-UHFFFAOYSA-N 652601 6-N-({2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 2181 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652601&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362768 494496749 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377421 CN1CCN(CCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CC1 InChI=1S/C23H28FN5/c1-28-11-13-29(14-12-28)10-8-17-5-6-18(21(24)15-17)16-27-22-4-2-3-20-19(22)7-9-26-23(20)25/h2-7,9,15,27H,8,10-14,16H2,1H3,(H2,25,26) RJGXWYMMSWXDBY-UHFFFAOYSA-N 652602 5-N-({2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}methyl)isoquinoline-1,5- diamine::US20240059691, Example 2182 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652602&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362769 494496750 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377422 Nc1nccc2c(NCc3ccc(CCN4CCOCC4)cc3F)cccc12 InChI=1S/C22H25FN4O/c23-20-14-16(7-9-27-10-12-28-13-11-27)4-5-17(20)15-26-21-3-1-2-19-18(21)6-8-25-22(19)24/h1-6,8,14,26H,7,9-13,15H2,(H2,24,25) RWQRQTTUCTXRQC-UHFFFAOYSA-N 652603 5-N-({2-fluoro-4-[2-(morpholin-4-yl)ethyl]phenyl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 2183 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652603&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390220 494496751 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377423 CN1CCN(CCc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)c(F)c2)CC1 InChI=1S/C23H27ClFN5/c1-29-8-10-30(11-9-29)7-6-16-2-3-17(22(25)12-16)14-27-18-4-5-19-20(13-18)21(24)15-28-23(19)26/h2-5,12-13,15,27H,6-11,14H2,1H3,(H2,26,28) OTZKOBJGNWYHCY-UHFFFAOYSA-N 652604 4-chloro-6-N-({2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}methyl)isoquinoline- 1,6-diamine::US20240059691, Example 2184 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652604&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390559 494496752 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377424 CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)cc1 InChI=1S/C23H28N4O/c1-27-12-9-21(10-13-27)28-16-18-4-2-17(3-5-18)15-26-20-6-7-22-19(14-20)8-11-25-23(22)24/h2-8,11,14,21,26H,9-10,12-13,15-16H2,1H3,(H2,24,25) IFOVGASEQCOJAP-UHFFFAOYSA-N 652605 6-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 2185 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652605&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390477 494496753 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377425 CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)cc1 InChI=1S/C23H28N4O/c1-27-13-10-19(11-14-27)28-16-18-7-5-17(6-8-18)15-26-22-4-2-3-21-20(22)9-12-25-23(21)24/h2-9,12,19,26H,10-11,13-16H2,1H3,(H2,24,25) YGRNPRKEECJLCM-UHFFFAOYSA-N 652606 5-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 2186 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652606&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390213 494496754 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377426 CN1CCC(CC1)OCc1ccc(CNc2ccc3nc(N)ccc3c2)cc1 InChI=1S/C23H28N4O/c1-27-12-10-21(11-13-27)28-16-18-4-2-17(3-5-18)15-25-20-7-8-22-19(14-20)6-9-23(24)26-22/h2-9,14,21,25H,10-13,15-16H2,1H3,(H2,24,26) IUBAXPVGRHDTKV-UHFFFAOYSA-N 652607 6-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]quinoline-2,6-diamine::US20240059691, Example 2187 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652607&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390297 494496755 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377427 CN1CCC(CC1)OCc1ccc(CNc2ccc3cc(N)ncc3c2)cc1 InChI=1S/C23H28N4O/c1-27-10-8-22(9-11-27)28-16-18-4-2-17(3-5-18)14-25-21-7-6-19-13-23(24)26-15-20(19)12-21/h2-7,12-13,15,22,25H,8-11,14,16H2,1H3,(H2,24,26) XIFNXPCBWYAEJW-UHFFFAOYSA-N 652608 7-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-3,7-diamine::US20240059691, Example 2188 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652608&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928454 494496756 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377428 CN1CCC(CC1)OCc1ccc(CNc2ccc3cnc(N)cc3c2)cc1 InChI=1S/C23H28N4O/c1-27-10-8-22(9-11-27)28-16-18-4-2-17(3-5-18)14-25-21-7-6-19-15-26-23(24)13-20(19)12-21/h2-7,12-13,15,22,25H,8-11,14,16H2,1H3,(H2,24,26) UCVKVZZDWKEDST-UHFFFAOYSA-N 652609 6-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-3,6-diamine::US20240059691, Example 2189 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652609&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390438 494496757 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377429 CN(Cc1ccc(COC2CCN(C)CC2)cc1)c1ccc2c(N)nccc2c1 InChI=1S/C24H30N4O/c1-27-13-10-22(11-14-27)29-17-19-5-3-18(4-6-19)16-28(2)21-7-8-23-20(15-21)9-12-26-24(23)25/h3-9,12,15,22H,10-11,13-14,16-17H2,1-2H3,(H2,25,26) OAHIADQZXPBYGD-UHFFFAOYSA-N 652610 6-N-methyl-6-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 2190 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652610&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390383 494496758 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377430 CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C23H27FN4O/c1-28-10-7-20(8-11-28)29-15-16-2-3-18(22(24)12-16)14-27-19-4-5-21-17(13-19)6-9-26-23(21)25/h2-6,9,12-13,20,27H,7-8,10-11,14-15H2,1H3,(H2,25,26) QDOYQXPRWRGBKF-UHFFFAOYSA-N 652611 6-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 2191 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652611&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390206 494496759 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377431 CN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(Cl)c1 InChI=1S/C23H27ClN4O/c1-28-10-7-20(8-11-28)29-15-16-2-3-18(22(24)12-16)14-27-19-4-5-21-17(13-19)6-9-26-23(21)25/h2-6,9,12-13,20,27H,7-8,10-11,14-15H2,1H3,(H2,25,26) PUSHOPRQHUASRC-UHFFFAOYSA-N 652612 6-N-[(2-chloro-4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 2192 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652612&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390318 494496760 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377432 CN1CCC(CC1)OCc1ccc(CNc2ccc3cnccc3c2)cc1 InChI=1S/C23H27N3O/c1-26-12-9-23(10-13-26)27-17-19-4-2-18(3-5-19)15-25-22-7-6-21-16-24-11-8-20(21)14-22/h2-8,11,14,16,23,25H,9-10,12-13,15,17H2,1H3 BOCSUPFQLFIHFX-UHFFFAOYSA-N 652613 N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinolin-6-amine::US20240059691, Example 2193 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652613&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390373 494496761 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377433 CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)C(F)(F)C1 InChI=1S/C23H26F2N4O/c1-29-11-9-21(23(24,25)15-29)30-14-17-4-2-16(3-5-17)13-28-19-6-7-20-18(12-19)8-10-27-22(20)26/h2-8,10,12,21,28H,9,11,13-15H2,1H3,(H2,26,27) BFXHXEUYAPQSKF-UHFFFAOYSA-N 652614 6-N-[(4-{[(3,3-difluoro-1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 2194 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652614&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390187 494496762 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377434 Nc1nccc2cc(NCc3ccc(COC4CCN(CC4)C4CC4)cc3)ccc12 InChI=1S/C25H30N4O/c26-25-24-8-5-21(15-20(24)9-12-27-25)28-16-18-1-3-19(4-2-18)17-30-23-10-13-29(14-11-23)22-6-7-22/h1-5,8-9,12,15,22-23,28H,6-7,10-11,13-14,16-17H2,(H2,26,27) WDKFWBZIMKMRIR-UHFFFAOYSA-N 652615 6-N-[(4-{[(1-cyclopropylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-1,6- diamine::US20240059691, Example 2195 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652615&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362770 494496763 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377435 Nc1nccc2cc(NCc3ccc(COC4CCN(CC(F)F)CC4)cc3)ccc12 InChI=1S/C24H28F2N4O/c25-23(26)15-30-11-8-21(9-12-30)31-16-18-3-1-17(2-4-18)14-29-20-5-6-22-19(13-20)7-10-28-24(22)27/h1-7,10,13,21,23,29H,8-9,11-12,14-16H2,(H2,27,28) NNSGOPRWQAVYAK-UHFFFAOYSA-N 652616 6-N-{[4-({[1-(2,2-difluoroethyl)piperidin-4-yl]oxy}methyl)phenyl]methyl}isoquinoline- 1,6-diamine::US20240059691, Example 2196 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652616&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362771 494496764 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377436 CN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C23H27FN4O/c1-28-11-8-18(9-12-28)29-15-16-5-6-17(21(24)13-16)14-27-22-4-2-3-20-19(22)7-10-26-23(20)25/h2-7,10,13,18,27H,8-9,11-12,14-15H2,1H3,(H2,25,26) FANJUXPUAIHWDE-UHFFFAOYSA-N 652617 5-N-[(2-fluoro-4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline-1,5- diamine::US20240059691, Example 2197 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652617&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390208 494496765 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377437 CN1C[C@H]2CC1C[C@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C24H27FN4O/c1-29-13-18-10-20(29)11-23(18)30-14-15-2-3-17(22(25)8-15)12-28-19-4-5-21-16(9-19)6-7-27-24(21)26/h2-9,18,20,23,28H,10-14H2,1H3,(H2,26,27)/t18-,20?,23-/m1/s1 CYDSMQBZTXOTJO-ZBOFDPRTSA-N 652618 N6-(2-fluoro-4-((((4R*,5R*)-2-methyl-2-azabicyclo[2.2.1]heptan-5- yl)oxy)methyl)benzyl)isoquinoline-1,6-diamine::US20240059691, Example 2198 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652618&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100189 494496766 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377438 CN1C[C@H]2CC1C[C@@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C24H27FN4O/c1-29-13-18-10-20(29)11-23(18)30-14-15-2-3-17(22(25)8-15)12-28-19-4-5-21-16(9-19)6-7-27-24(21)26/h2-9,18,20,23,28H,10-14H2,1H3,(H2,26,27)/t18-,20?,23+/m1/s1 CYDSMQBZTXOTJO-RAWUHTOPSA-N 652619 N6-(2-fluoro-4-((((4R*,5S*)-2-methyl-2-azabicyclo[2.2.1]heptan-5- yl)oxy)methyl)benzyl)isoquinoline-1,6-diamine::US20240059691, Example 2199 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652619&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100197 494496767 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377439 CC(=O)N1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C24H27FN4O2/c1-16(30)29-10-7-21(8-11-29)31-15-17-2-3-19(23(25)12-17)14-28-20-4-5-22-18(13-20)6-9-27-24(22)26/h2-6,9,12-13,21,28H,7-8,10-11,14-15H2,1H3,(H2,26,27) UNMCKAKYUMTHLQ-UHFFFAOYSA-N 652620 1-(4-((4-(((1-aminoisoquinolin-6-yl)amino)methyl)-3-fluorobenzyl)oxy)piperidin-1- yl)ethan-1-one::US20240059691, Example 2200 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652620&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362772 494496768 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377440 CCN1CCC(CC1)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C24H29FN4O/c1-2-29-12-9-19(10-13-29)30-16-17-6-7-18(22(25)14-17)15-28-23-5-3-4-21-20(23)8-11-27-24(21)26/h3-8,11,14,19,28H,2,9-10,12-13,15-16H2,1H3,(H2,26,27) JRXMHNDYGQNYAI-UHFFFAOYSA-N 652621 5-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-fluorophenyl)methyl]isoquinoline-1,5- diamine::US20240059691, Example 2201 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652621&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362773 494496769 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377441 CCN1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C24H29FN4O/c1-2-29-11-8-21(9-12-29)30-16-17-3-4-19(23(25)13-17)15-28-20-5-6-22-18(14-20)7-10-27-24(22)26/h3-7,10,13-14,21,28H,2,8-9,11-12,15-16H2,1H3,(H2,26,27) QXBVZJVFQPOKBL-UHFFFAOYSA-N 652622 6-N-[(4-{[(1-ethylpiperidin-4-yl)oxy]methyl}-2-fluorophenyl)methyl]isoquinoline-1,6- diamine::US20240059691, Example 2202 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652622&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362774 494496770 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377442 CN(Cc1ccc(COC2CCN(C)CC2)cc1Cl)c1cccc2c(N)nccc12 InChI=1S/C24H29ClN4O/c1-28-12-9-19(10-13-28)30-16-17-6-7-18(22(25)14-17)15-29(2)23-5-3-4-21-20(23)8-11-27-24(21)26/h3-8,11,14,19H,9-10,12-13,15-16H2,1-2H3,(H2,26,27) FJCDXLHVUXGHIO-UHFFFAOYSA-N 652623 5-N-[(2-chloro-4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]-5-N- methylisoquinoline-1,5-diamine::US20240059691, Example 2203 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652623&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362775 494496771 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377443 CN(Cc1ccc(COC2CCN(C)CC2)cc1)c1ccc2cnccc2c1 InChI=1S/C24H29N3O/c1-26-13-10-24(11-14-26)28-18-20-5-3-19(4-6-20)17-27(2)23-8-7-22-16-25-12-9-21(22)15-23/h3-9,12,15-16,24H,10-11,13-14,17-18H2,1-2H3 BUERVDLOQNKKKC-UHFFFAOYSA-N 652624 N-methyl-N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinolin-6- amine::US20240059691, Example 2204 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652624&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362776 494496772 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377444 CN1CCC(CC11COC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C25H29FN4O2/c1-30-9-7-21(12-25(30)15-31-16-25)32-14-17-2-3-19(23(26)10-17)13-29-20-4-5-22-18(11-20)6-8-28-24(22)27/h2-6,8,10-11,21,29H,7,9,12-16H2,1H3,(H2,27,28) PUXBKFXYQQCQAS-UHFFFAOYSA-N 652625 6-N-({2-fluoro-4-[({5-methyl-2-oxa-5-azaspiro[3.5]nonan-8- yl}oxy)methyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 2205 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652625&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362777 494496773 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377445 CN1CC2(CC(C2)OCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)C1 InChI=1S/C24H27FN4O/c1-29-14-24(15-29)10-18(11-24)30-13-16-5-6-17(21(25)9-16)12-28-22-4-2-3-20-19(22)7-8-27-23(20)26/h2-9,18,28H,10-15H2,1H3,(H2,26,27) AHIHNTAORHPRDF-UHFFFAOYSA-N 652626 5-N-[[2-fluoro-4-[(2-methyl-2-azaspiro[3.3]heptan-6- yl)oxymethyl]phenyl]methyl]isoquinoline-1,5-diamine::US20240059691, Example 2206 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652626&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362778 494496774 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377446 Cn1ccnc1COCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C22H22FN5O/c1-28-10-9-25-21(28)14-29-13-15-5-6-16(19(23)11-15)12-27-20-4-2-3-18-17(20)7-8-26-22(18)24/h2-11,27H,12-14H2,1H3,(H2,24,26) XQVNEJZHIUXQSZ-UHFFFAOYSA-N 652627 N5-(2-fluoro-4-(((1-methyl-1H-imidazol-2-yl)methoxy)methyl)benzyl)isoquinoline-1,5- diamine::US20240059691, Example 2207 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652627&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362779 494496775 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377447 Cn1ccnc1CCOCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C23H24FN5O/c1-29-11-10-26-22(29)8-12-30-15-16-5-6-17(20(24)13-16)14-28-21-4-2-3-19-18(21)7-9-27-23(19)25/h2-7,9-11,13,28H,8,12,14-15H2,1H3,(H2,25,27) VFLSIFZSTSWSDC-UHFFFAOYSA-N 652628 5-N-[[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxymethyl]phenyl]methyl]isoquinoline- 1,5-diamine::US20240059691, Example 2208 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652628&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390462 494496776 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377448 CN1CC(CCC1=O)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C23H25FN4O2/c1-28-13-17(7-8-22(28)29)30-14-15-5-6-16(20(24)11-15)12-27-21-4-2-3-19-18(21)9-10-26-23(19)25/h2-6,9-11,17,27H,7-8,12-14H2,1H3,(H2,25,26) NTFAJFSJGVPGAC-UHFFFAOYSA-N 652629 5-[[4-[[(1-amino-5-isoquinolyl)amino]methyl]-3-fluoro-phenyl]methoxy]-1-methyl- piperidin-2-one::US20240059691, Example 2209 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652629&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362780 494496777 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377449 CN1CCC(CC1)OCc1ccc(cc1)S(=O)(=O)Nc1ccc2c(N)nccc2c1 InChI=1S/C22H26N4O3S/c1-26-12-9-19(10-13-26)29-15-16-2-5-20(6-3-16)30(27,28)25-18-4-7-21-17(14-18)8-11-24-22(21)23/h2-8,11,14,19,25H,9-10,12-13,15H2,1H3,(H2,23,24) LEWOAOIBZOMNAA-UHFFFAOYSA-N 652630 N-(1-aminoisoquinolin-6-yl)-4-{[(1-methylpiperidin-4- yl)oxy]methyl}benzenesulfonamide::US20240059691, Example 2210 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652630&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390195 494496778 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377450 Cn1ccnc1CC(=O)NCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C23H23FN6O/c1-30-10-9-26-21(30)12-22(31)29-13-15-5-6-16(19(24)11-15)14-28-20-4-2-3-18-17(20)7-8-27-23(18)25/h2-11,28H,12-14H2,1H3,(H2,25,27)(H,29,31) WMVZLWYOHAUGMC-UHFFFAOYSA-N 652631 N-(4-(((1-aminoisoquinolin-5-yl)amino)methyl)-3-fluorobenzyl)-2-(1-methyl-1H- imidazol-2-yl)acetamide::US20240059691, Example 2211 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652631&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362781 494496779 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377451 CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C26H32FN5/c1-17(2)32-16-20-13-21(32)15-31(20)11-9-18-6-7-19(24(27)12-18)14-30-25-5-3-4-23-22(25)8-10-29-26(23)28/h3-8,10,12,17,20-21,30H,9,11,13-16H2,1-2H3,(H2,28,29) UMCJVSRVNNGRDY-UHFFFAOYSA-N 652632 5-N-[(2-fluoro-4-{2-[(15,4S)-5-isopropyl-2,5-diazabicyclo[2.2.1]heptan-2- yl]ethyl}phenyl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 2212 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652632&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390298 494496780 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377452 CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C26H32FN5/c1-17(2)32-16-20-13-21(32)15-31(20)11-9-18-6-7-19(24(27)12-18)14-30-25-5-3-4-23-22(25)8-10-29-26(23)28/h3-8,10,12,17,20-21,30H,9,11,13-16H2,1-2H3,(H2,28,29)/t20-,21-/m1/s1 UMCJVSRVNNGRDY-NHCUHLMSSA-N 652633 5-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diazabicyclo[2.2.1]heptan-2- yl]ethyl}phenyl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 2213 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652633&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 167098831 494496781 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377453 CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)c(F)c1 InChI=1S/C26H31ClFN5/c1-16(2)33-15-20-11-21(33)14-32(20)8-7-17-3-4-18(25(28)9-17)12-30-19-5-6-22-23(10-19)24(27)13-31-26(22)29/h3-6,9-10,13,16,20-21,30H,7-8,11-12,14-15H2,1-2H3,(H2,29,31)/t20-,21-/m1/s1 HDPSRBDROYEPJE-NHCUHLMSSA-N 652634 4-chloro-6-N-[(2-fluoro-4-{2-[(1R,4R)-5-isopropyl-2,5-diazabicyclo[2.2.1]heptan-2- yl]ethyl}phenyl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 2214 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652634&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362782 494496782 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377454 Nc1ncc(Cl)c2cc(NCc3ccc(CCN4CCOCC4)cc3F)ccc12 InChI=1S/C22H24ClFN4O/c23-20-14-27-22(25)18-4-3-17(12-19(18)20)26-13-16-2-1-15(11-21(16)24)5-6-28-7-9-29-10-8-28/h1-4,11-12,14,26H,5-10,13H2,(H2,25,27) SAQOYLCNEVUQKH-UHFFFAOYSA-N 652635 4-chloro-6-N-({2-fluoro-4-[2-(morpholin-4-yl)ethyl]phenyl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 2215 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652635&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362783 494496783 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377455 CC(C)N1CCC(CC1)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C25H31FN4O/c1-17(2)30-11-8-22(9-12-30)31-16-18-3-4-20(24(26)13-18)15-29-21-5-6-23-19(14-21)7-10-28-25(23)27/h3-7,10,13-14,17,22,29H,8-9,11-12,15-16H2,1-2H3,(H2,27,28) DMWHRKUTGAXYTO-UHFFFAOYSA-N 652636 6-N-[(2-fluoro-4-{[(1-isopropylpiperidin-4-yl)oxy]methyl}phenyl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 2216 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652636&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362784 494496784 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377456 CN1CC2(C1)CC(CS2)OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1 InChI=1S/C24H27FN4OS/c1-29-14-24(15-29)10-20(13-31-24)30-12-16-2-3-18(22(25)8-16)11-28-19-4-5-21-17(9-19)6-7-27-23(21)26/h2-9,20,28H,10-15H2,1H3,(H2,26,27) JXOFQKCRUOWSBS-UHFFFAOYSA-N 652637 6-N-({2-fluoro-4-[({2-methyl-5-thia-2-azaspiro[3.4]octan-7- yl}oxy)methyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 2252 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652637&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362785 494496785 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377457 Nc1nccc2c(NCc3ccc(cc3)N3CC4(C3)CC(O)c3nccn43)cccc12 InChI=1S/C24H24N6O/c25-22-19-2-1-3-20(18(19)8-9-26-22)28-13-16-4-6-17(7-5-16)29-14-24(15-29)12-21(31)23-27-10-11-30(23)24/h1-11,21,28,31H,12-15H2,(H2,25,26) JIVCKBWBZVHAIV-UHFFFAOYSA-N 652638 1-(4-(((1-aminoisoquinolin-5-yl)amino)methyl)phenyl)-6',7'-dihydrospiro[azetidine-3,5'- pyrrolo[1,2-a]imidazol]-7'-ol::US20240059691, Example 2253 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652638&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362786 494496786 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377458 CN1[C@H]2COC[C@@H]1CC(C2)OCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C25H29FN4O2/c1-30-18-10-20(11-19(30)15-31-14-18)32-13-16-5-6-17(23(26)9-16)12-29-24-4-2-3-22-21(24)7-8-28-25(22)27/h2-9,18-20,29H,10-15H2,1H3,(H2,27,28)/t18-,19+,20? KITXJRBAWLMDQM-YOFSQIOKSA-N 652639 N5-(2-fluoro-4-((((1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7- yl)oxy)methyl)benzyl)isoquinoline-1,5-diamine::US20240059691, Example 2254 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652639&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362787 494496787 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377459 Nc1nccc2c(NCc3ccc(cc3F)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C22H19F4N7/c23-17-10-14(32-8-9-33-19(12-32)30-31-21(33)22(24,25)26)5-4-13(17)11-29-18-3-1-2-16-15(18)6-7-28-20(16)27/h1-7,10,29H,8-9,11-12H2,(H2,27,28) IYMWBRXBVVWBRJ-UHFFFAOYSA-N 652640 N5-(2-fluoro-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)benzyl)isoquinoline-1,5-diamine::US20240059691, Example 2256 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652640&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390567 494496788 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377460 Cc1cc(ccc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C23H22F3N7/c1-14-11-16(32-9-10-33-20(13-32)30-31-22(33)23(24,25)26)6-5-15(14)12-29-19-4-2-3-18-17(19)7-8-28-21(18)27/h2-8,11,29H,9-10,12-13H2,1H3,(H2,27,28) YDADFRZUDGHJMV-UHFFFAOYSA-N 652641 N5-(2-methyl-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)benzyl)isoquinoline-1,5-diamine::US20240059691, Example 2257 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652641&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362788 494496789 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377461 CN1CCC(Cn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C20H26N6/c1-25-8-5-15(6-9-25)13-26-14-16(12-24-26)11-23-18-2-3-19-17(10-18)4-7-22-20(19)21/h2-4,7,10,12,14-15,23H,5-6,8-9,11,13H2,1H3,(H2,21,22) UQRPGVIAENOGMG-UHFFFAOYSA-N 652642 6-N-({1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 3253 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652642&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390541 494496790 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377462 CN1CCC(CCn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C21H28N6/c1-26-9-5-16(6-10-26)7-11-27-15-17(14-25-27)13-24-19-2-3-20-18(12-19)4-8-23-21(20)22/h2-4,8,12,14-16,24H,5-7,9-11,13H2,1H3,(H2,22,23) SOTJCXRFTOZWTE-UHFFFAOYSA-N 652643 6-N-({1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 3254 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652643&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390266 494496791 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377463 CN1CCC(CCn2cc(CNc3cccc4c(N)nccc34)cn2)CC1 InChI=1S/C21H28N6/c1-26-10-6-16(7-11-26)8-12-27-15-17(14-25-27)13-24-20-4-2-3-19-18(20)5-9-23-21(19)22/h2-5,9,14-16,24H,6-8,10-13H2,1H3,(H2,22,23) DLUKPZQRIWFFDH-UHFFFAOYSA-N 652644 N5-((1-(2-(1-methylpiperidin-4-yl)ethyl)-1H-pyrazol-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 3255 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652644&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390497 494496792 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377464 CN1CCC(CC1)Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C21H25N5O/c1-26-10-6-18(7-11-26)27-20-12-15(4-8-23-20)14-25-17-2-3-19-16(13-17)5-9-24-21(19)22/h2-5,8-9,12-13,18,25H,6-7,10-11,14H2,1H3,(H2,22,24) BAPGDFQYYPBNAG-UHFFFAOYSA-N 652645 N6-((2-((1-methylpiperidin-4-yl)oxy)pyridin-4-yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4259 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652645&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928486 494496793 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377465 CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1 InChI=1S/C22H27N5O/c1-27-11-7-16(8-12-27)15-28-21-13-17(5-9-24-21)14-26-20-4-2-3-19-18(20)6-10-25-22(19)23/h2-6,9-10,13,16,26H,7-8,11-12,14-15H2,1H3,(H2,23,25) LEOZSBNDFVBQQT-UHFFFAOYSA-N 652646 5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]methyl]isoquinoline-1,5-diamine::US20240059691, Example 4260 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652646&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390502 494496794 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377466 CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C22H27N5O/c1-27-10-6-16(7-11-27)15-28-21-12-17(4-8-24-21)14-26-19-2-3-20-18(13-19)5-9-25-22(20)23/h2-5,8-9,12-13,16,26H,6-7,10-11,14-15H2,1H3,(H2,23,25) YXPALMWXBGWOBZ-UHFFFAOYSA-N 652647 6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4261 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652647&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390110 494496795 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377467 CN1CCC(COc2cc(CNc3ccc4cnccc4c3)ccn2)CC1 InChI=1S/C22H26N4O/c1-26-10-6-17(7-11-26)16-27-22-12-18(4-9-24-22)14-25-21-3-2-20-15-23-8-5-19(20)13-21/h2-5,8-9,12-13,15,17,25H,6-7,10-11,14,16H2,1H3 YUGVXCKQXRQZMT-UHFFFAOYSA-N 652648 N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinolin-6-amine::US20240059691, Example 4262 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652648&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928363 494496796 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377468 CN1CCC(COc2cc(CNc3ccc4c(N)ncnc4c3)ccn2)CC1 InChI=1S/C21H26N6O/c1-27-8-5-15(6-9-27)13-28-20-10-16(4-7-23-20)12-24-17-2-3-18-19(11-17)25-14-26-21(18)22/h2-4,7,10-11,14-15,24H,5-6,8-9,12-13H2,1H3,(H2,22,25,26) OKUVSMJFMNYWPK-UHFFFAOYSA-N 652649 7-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)quinazoline-4,7-diamine::US20240059691, Example 4263 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652649&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928428 494496797 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377469 CN1CCC(COc2cc(CNc3cnc4[nH]cc(Cl)c4c3)ccn2)CC1 InChI=1S/C20H24ClN5O/c1-26-6-3-14(4-7-26)13-27-19-8-15(2-5-22-19)10-23-16-9-17-18(21)12-25-20(17)24-11-16/h2,5,8-9,11-12,14,23H,3-4,6-7,10,13H2,1H3,(H,24,25) DQVFZJPJBZFGFO-UHFFFAOYSA-N 652650 3-chloro-N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)-1H-pyrrolo[2,3- b]pyridin-5-amine::US20240059691, Example 4264 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652650&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362789 494496798 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377470 CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)cc(n2)C(F)(F)F)CC1 InChI=1S/C23H26F3N5O/c1-31-8-5-15(6-9-31)14-32-21-11-16(10-20(30-21)23(24,25)26)13-29-18-2-3-19-17(12-18)4-7-28-22(19)27/h2-4,7,10-12,15,29H,5-6,8-9,13-14H2,1H3,(H2,27,28) RETOSFBTHJWCPW-UHFFFAOYSA-N 652651 6-N-({2-[(1-methylpiperidin-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4- yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4265 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652651&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390563 494496799 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377471 Nc1nccc2cc(NCc3ccnc(OCC4CCn5cc(nc5C4)C(F)(F)F)c3)ccc12 InChI=1S/C24H23F3N6O/c25-24(26,27)20-13-33-8-5-16(9-21(33)32-20)14-34-22-10-15(3-6-29-22)12-31-18-1-2-19-17(11-18)4-7-30-23(19)28/h1-4,6-7,10-11,13,16,31H,5,8-9,12,14H2,(H2,28,30) YEKLWIQAYABVHF-UHFFFAOYSA-N 652652 6-N-[(2-{[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yl]methoxy}pyridin- 4-yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4266 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652652&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362790 494496800 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377472 Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27) RNYFAJPMYTZRIV-UHFFFAOYSA-N 652653 6-N-({2-[(7S*)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy]pyridin-4- yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4267::US20240059691, Example 4408 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652653&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390500 494496801 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377473 CN1CCC(COc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1 InChI=1S/C22H26ClN5O/c1-28-8-5-15(6-9-28)14-29-21-10-16(4-7-25-21)12-26-17-2-3-18-19(11-17)20(23)13-27-22(18)24/h2-4,7,10-11,13,15,26H,5-6,8-9,12,14H2,1H3,(H2,24,27) WPHHTTMLRJZZSE-UHFFFAOYSA-N 652654 4-chloro-6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 4268 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652654&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390523 494496802 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377474 CN1CC2C(COc3cc(CNc4ccc5c(N)nccc5c4)ccn3)C2C1 InChI=1S/C22H25N5O/c1-27-11-18-19(12-27)20(18)13-28-21-8-14(4-6-24-21)10-26-16-2-3-17-15(9-16)5-7-25-22(17)23/h2-9,18-20,26H,10-13H2,1H3,(H2,23,25) DLIVTYIYTMUJNA-UHFFFAOYSA-N 652655 N6-((2-((3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4269 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652655&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362791 494496803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377475 CN1CC2CCC(C1)C2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C24H29N5O/c1-29-13-18-2-3-19(14-29)22(18)15-30-23-10-16(6-8-26-23)12-28-20-4-5-21-17(11-20)7-9-27-24(21)25/h4-11,18-19,22,28H,2-3,12-15H2,1H3,(H2,25,27) VZCLQKXKPFPMJM-UHFFFAOYSA-N 652656 6-N-[[2-[(3-methyl-3-azabicyclo[3.2.1]octan-8-yl)methoxy]-4- pyridyl]methyl]isoquinoline-1,6-diamine::US20240059691, Example 4270 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652656&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100193 494496804 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377476 CN1CCC(COc2cc(CNc3cc4ccnc(N)c4cn3)ccn2)CC1 InChI=1S/C21H26N6O/c1-27-8-4-15(5-9-27)14-28-20-10-16(2-6-23-20)12-25-19-11-17-3-7-24-21(22)18(17)13-26-19/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3,(H2,22,24)(H,25,26) HFEOGDZAKNSAKC-UHFFFAOYSA-N 652657 6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)-2,7-naphthyridine-1,6- diamine::US20240059691, Example 4271 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652657&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362792 494496805 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377477 CN1CCC(COc2cc(CNc3ccnc4c(N)nccc34)ccn2)CC1 InChI=1S/C21H26N6O/c1-27-10-5-15(6-11-27)14-28-19-12-16(2-7-23-19)13-26-18-4-9-24-20-17(18)3-8-25-21(20)22/h2-4,7-9,12,15H,5-6,10-11,13-14H2,1H3,(H2,22,25)(H,24,26) KPLOPAOSJILVIG-UHFFFAOYSA-N 652658 4-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]methyl]-1,7-naphthyridine-4,8- diamine::US20240059691, Example 4272 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652658&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362793 494496806 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377478 CN1CCC(COc2cc(CNc3nccc4c(N)ccnc34)ccn2)CC1 InChI=1S/C21H26N6O/c1-27-10-5-15(6-11-27)14-28-19-12-16(2-7-23-19)13-26-21-20-17(3-8-25-21)18(22)4-9-24-20/h2-4,7-9,12,15H,5-6,10-11,13-14H2,1H3,(H2,22,24)(H,25,26) IIHKCWBLAFVPAV-UHFFFAOYSA-N 652659 N8-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)-1,7-naphthyridine-4,8- diamine::US20240059691, Example 4273 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652659&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362794 494496807 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377479 CC(=O)N1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C24H27N5O2/c1-15(30)29-13-17-10-19(29)11-18(17)14-31-23-9-16(5-7-26-23)12-28-22-4-2-3-21-20(22)6-8-27-24(21)25/h2-9,17-19,28H,10-14H2,1H3,(H2,25,27) MQDHBZFMRCCJMC-UHFFFAOYSA-N 652660 1-(5-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-2- azabicyclo[2.2.1]heptan-2-yl)ethanone::US20240059691, Example 4274 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652660&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390261 494496808 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377480 CC(=O)N1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C24H27N5O2/c1-15(30)29-13-18-10-21(29)11-19(18)14-31-23-8-16(4-6-26-23)12-28-20-2-3-22-17(9-20)5-7-27-24(22)25/h2-9,18-19,21,28H,10-14H2,1H3,(H2,25,27) FEDZONCTGWFBNX-UHFFFAOYSA-N 652661 1-(5-{[(4-{[(1-aminoisoquinolin-6-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-2- azabicyclo[2.2.1]heptan-2-yl)ethanone::US20240059691, Example 4275 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652661&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390402 494496809 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377481 CN1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C23H27N5O/c1-28-13-16-10-18(28)11-17(16)14-29-22-9-15(5-7-25-22)12-27-21-4-2-3-20-19(21)6-8-26-23(20)24/h2-9,16-18,27H,10-14H2,1H3,(H2,24,26) CUJAMZMFVUMLMN-UHFFFAOYSA-N 652662 5-N-{[2-({2-methyl-2-azabicyclo[2.2.1]heptan-5-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,5-diamine::US20240059691, Example 4276 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652662&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362795 494496810 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377482 CN1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C23H27N5O/c1-28-13-17-10-20(28)11-18(17)14-29-22-8-15(4-6-25-22)12-27-19-2-3-21-16(9-19)5-7-26-23(21)24/h2-9,17-18,20,27H,10-14H2,1H3,(H2,24,26) LRIAAYQSNNESBQ-UHFFFAOYSA-N 652663 6-N-{[2-({2-methyl-2-azabicyclo[2.2.1]heptan-5-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4277 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652663&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390550 494496811 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377483 CN1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C24H29N5O/c1-29-13-17-5-6-18(14-29)21(17)15-30-23-11-16(7-9-26-23)12-28-22-4-2-3-20-19(22)8-10-27-24(20)25/h2-4,7-11,17-18,21,28H,5-6,12-15H2,1H3,(H2,25,27) RMNYKKOMVGKWMF-UHFFFAOYSA-N 652664 5-N-[[2-[(3-methyl-3-azabicyclo[3.2.1]octan-8-yl)methoxy]-4- pyridyl]methyl]isoquinoline-1,5-diamine::US20240059691, Example 4278 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652664&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362796 494496812 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377484 CN1C[C@@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O InChI=1S/C20H21N5O3/c1-25-11-14(28-20(25)26)12-27-18-9-13(5-7-22-18)10-24-17-4-2-3-16-15(17)6-8-23-19(16)21/h2-9,14,24H,10-12H2,1H3,(H2,21,23)/t14-/m0/s1 JIRZTKNHLRBCKF-AWEZNQCLSA-N 652665 (5S)-5-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-3-methyl- 1,3-oxazolidin-2-one::US20240059691, Example 4279 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652665&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362797 494496813 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377485 CN1C[C@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O InChI=1S/C20H21N5O3/c1-25-11-14(28-20(25)26)12-27-18-9-13(5-7-22-18)10-24-17-4-2-3-16-15(17)6-8-23-19(16)21/h2-9,14,24H,10-12H2,1H3,(H2,21,23)/t14-/m1/s1 JIRZTKNHLRBCKF-CQSZACIVSA-N 652666 (5R)-5-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-3-methyl- 1,3-oxazolidin-2-one::US20240059691, Example 4280 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652666&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362798 494496814 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377486 CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)cc(n2)C(F)(F)F)CC1 InChI=1S/C23H26F3N5O/c1-31-9-6-15(7-10-31)14-32-21-12-16(11-20(30-21)23(24,25)26)13-29-19-4-2-3-18-17(19)5-8-28-22(18)27/h2-5,8,11-12,15,29H,6-7,9-10,13-14H2,1H3,(H2,27,28) ZKYUOZOXYNXLAA-UHFFFAOYSA-N 652667 5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-6-(trifluoromethyl)-4- pyridyl]methyl]isoquinoline-1,5-diamine::US20240059691, Example 4281 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652667&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362799 494496815 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377487 Cn1ccnc1CCOc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C21H22N6O/c1-27-11-10-23-19(27)7-12-28-20-13-15(5-8-24-20)14-26-18-4-2-3-17-16(18)6-9-25-21(17)22/h2-6,8-11,13,26H,7,12,14H2,1H3,(H2,22,25) WJAIHAMGHSKLNB-UHFFFAOYSA-N 652668 5-N-({2-[2-(1-methylimidazol-2-yl)ethoxy]pyridin-4-yl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 4282 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652668&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928467 494496816 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377488 Cn1ccnc1CCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C21H22N6O/c1-27-10-9-23-19(27)6-11-28-20-12-15(4-7-24-20)14-26-17-2-3-18-16(13-17)5-8-25-21(18)22/h2-5,7-10,12-13,26H,6,11,14H2,1H3,(H2,22,25) QBUFVHZXADLMLN-UHFFFAOYSA-N 652669 6-N-({2-[2-(1-methylimidazol-2-yl)ethoxy]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4283 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652669&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928370 494496817 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377489 CN1CCC(CNc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C22H28N6/c1-28-10-6-16(7-11-28)14-27-21-12-17(4-8-24-21)15-26-19-2-3-20-18(13-19)5-9-25-22(20)23/h2-5,8-9,12-13,16,26H,6-7,10-11,14-15H2,1H3,(H2,23,25)(H,24,27) AYQRIBJCWHYQNN-UHFFFAOYSA-N 652670 6-N-[(2-{[(1-methylpiperidin-4-yl)methyl]amino}pyridin-4-yl)methyl]isoquinoline-1,6- diamine::US20240059691, Example 4284 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652670&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362800 494496818 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377490 CN1CCC(CNc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1 InChI=1S/C22H27ClN6/c1-29-8-5-15(6-9-29)12-27-21-10-16(4-7-25-21)13-26-17-2-3-18-19(11-17)20(23)14-28-22(18)24/h2-4,7,10-11,14-15,26H,5-6,8-9,12-13H2,1H3,(H2,24,28)(H,25,27) VFEVHMYHGBXCLM-UHFFFAOYSA-N 652671 4-chloro-6-N-[(2-{[(1-methylpiperidin-4-yl)methyl]amino}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4285 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652671&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390570 494496819 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377491 CN1CCC(CNc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1 InChI=1S/C22H28N6/c1-28-11-7-16(8-12-28)14-27-21-13-17(5-9-24-21)15-26-20-4-2-3-19-18(20)6-10-25-22(19)23/h2-6,9-10,13,16,26H,7-8,11-12,14-15H2,1H3,(H2,23,25)(H,24,27) UXTLTIOXBOHGKL-UHFFFAOYSA-N 652672 N5-((2-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 4286 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652672&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362801 494496820 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377492 Nc1nccc2cc(NCc3cccc(CN4CCCC4)c3)ccc12 InChI=1S/C21H24N4/c22-21-20-7-6-19(13-18(20)8-9-23-21)24-14-16-4-3-5-17(12-16)15-25-10-1-2-11-25/h3-9,12-13,24H,1-2,10-11,14-15H2,(H2,22,23) CILUVFWKTWEZAT-UHFFFAOYSA-N 652673 6-N-{[3-(pyrrolidin-1-ylmethyl)phenyl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4287 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652673&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928492 494496821 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377493 CN1CCN(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1 InChI=1S/C23H29N5/c1-27-11-13-28(14-12-27)10-8-18-3-2-4-19(15-18)17-26-21-5-6-22-20(16-21)7-9-25-23(22)24/h2-7,9,15-16,26H,8,10-14,17H2,1H3,(H2,24,25) SZVKCFWGVAKMJJ-UHFFFAOYSA-N 652674 6-N-({3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4288 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652674&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928490 494496822 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377494 CN1CCC(CC1)NC(=O)c1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C22H26N6O/c1-28-11-7-16(8-12-28)27-22(29)20-13-15(5-9-24-20)14-26-19-4-2-3-18-17(19)6-10-25-21(18)23/h2-6,9-10,13,16,26H,7-8,11-12,14H2,1H3,(H2,23,25)(H,27,29) FUQWXNUBICSJBF-UHFFFAOYSA-N 652675 4-(((1-aminoisoquinolin-5-yl)amino)methyl)-N-(1-methylpiperidin-4-yl)picolinamide::US20240059691, Example 4289 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652675&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928380 494496823 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377495 CN1CCC(COc2cc(CNc3cnc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C21H26N6O/c1-27-8-4-15(5-9-27)14-28-19-10-16(2-6-23-19)12-25-18-11-17-3-7-24-21(22)20(17)26-13-18/h2-3,6-7,10-11,13,15,25H,4-5,8-9,12,14H2,1H3,(H2,22,24) JBHALIPUGWBOFZ-UHFFFAOYSA-N 652676 3-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)-1,7-naphthyridine-3,8- diamine::US20240059691, Example 4293 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652676&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362802 494496824 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377496 CC(C)N1C[C@H]2C[C@@H]1CN2Cc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C24H30N6/c1-16(2)30-15-19-11-20(30)14-29(19)13-18-10-17(6-8-26-18)12-28-23-5-3-4-22-21(23)7-9-27-24(22)25/h3-10,16,19-20,28H,11-15H2,1-2H3,(H2,25,27)/t19-,20-/m1/s1 GZWDTTNGXUYGCU-WOJBJXKFSA-N 652677 5-N-[(2-{[(1R,4R)-5-isopropyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl}pyridin-4- yl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 4294::US20240059691, Example 4295 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652677&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362803 494496825 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377497 CC(C)N1C[C@H]2C[C@@H]1CN2Cc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C24H30N6/c1-16(2)30-15-19-11-20(30)14-29(19)13-18-10-17(6-8-26-18)12-28-23-5-3-4-22-21(23)7-9-27-24(22)25/h3-10,16,19-20,28H,11-15H2,1-2H3,(H2,25,27)/t19-,20-/m1/s1 GZWDTTNGXUYGCU-WOJBJXKFSA-N 652677 5-N-[(2-{[(1R,4R)-5-isopropyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl}pyridin-4- yl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 4294::US20240059691, Example 4295 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652677&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362803 494496825 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377498 CC(C)N1CCC(CC1)OCc1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1 InChI=1S/C24H30ClN5O/c1-16(2)30-9-6-20(7-10-30)31-15-19-11-17(5-8-27-19)13-28-18-3-4-21-22(12-18)23(25)14-29-24(21)26/h3-5,8,11-12,14,16,20,28H,6-7,9-10,13,15H2,1-2H3,(H2,26,29) TVXGWIZPUXEVHQ-UHFFFAOYSA-N 652679 4-chloro-6-N-[(2-{[(1-isopropylpiperidin-4-yl)oxy]methyl}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4296 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652679&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362804 494496826 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377499 CC(C)N1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C26H33N5O/c1-17(2)31-14-19-6-7-20(15-31)23(19)16-32-25-12-18(8-10-28-25)13-30-24-5-3-4-22-21(24)9-11-29-26(22)27/h3-5,8-12,17,19-20,23,30H,6-7,13-16H2,1-2H3,(H2,27,29) ZGZPKQSHBQJIGW-UHFFFAOYSA-N 652680 N5-((2-((3-isopropyl-3-azabicyclo[3.2.1]octan-8-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4297 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652680&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362805 494496827 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377500 Nc1nccc2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12 InChI=1S/C23H24N6O/c24-23-19-2-1-3-20(18(19)5-8-27-23)28-14-16-4-7-26-22(13-16)30-15-17-6-10-29-11-9-25-21(29)12-17/h1-5,7-9,11,13,17,28H,6,10,12,14-15H2,(H2,24,27) NDQYBUYVXIWGNJ-UHFFFAOYSA-N 652681 N5-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4- pyridyl]methyl]isoquinoline-1,5-diamine::US20240059691, Example 4298 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652681&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390393 494496828 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377501 CC(C)N1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1 InChI=1S/C24H31N5O/c1-17(2)29-12-8-18(9-13-29)16-30-23-14-19(6-10-26-23)15-28-22-5-3-4-21-20(22)7-11-27-24(21)25/h3-7,10-11,14,17-18,28H,8-9,12-13,15-16H2,1-2H3,(H2,25,27) AIRGERSZASMAFK-UHFFFAOYSA-N 652682 5-N-({2-[(1-isopropylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,5- diamine::US20240059691, Example 4299 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652682&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390572 494496829 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377502 Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-27-22(10-15)31-14-16-4-7-30-8-6-26-21(30)9-16/h1-3,5-6,8,10-11,13,16,28H,4,7,9,12,14H2,(H2,25,29) MABZHGPFQUEHHT-UHFFFAOYSA-N 652683 4-chloro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4300 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652683&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390458 494496830 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377503 Cn1ccc(COc2cc(CNc3cccc4c(N)nccc34)ccn2)cc1=O InChI=1S/C22H21N5O2/c1-27-10-7-16(12-21(27)28)14-29-20-11-15(5-8-24-20)13-26-19-4-2-3-18-17(19)6-9-25-22(18)23/h2-12,26H,13-14H2,1H3,(H2,23,25) MBFJFSDXDXLAQN-UHFFFAOYSA-N 652684 4-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-1- methylpyridin-2-one::US20240059691, Example 4301 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652684&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390251 494496831 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377504 Nc1nccc2c(NCc3ccnc(NCCC(=O)N4CCCC4)c3)cccc12 InChI=1S/C22H26N6O/c23-22-18-4-3-5-19(17(18)7-10-26-22)27-15-16-6-9-24-20(14-16)25-11-8-21(29)28-12-1-2-13-28/h3-7,9-10,14,27H,1-2,8,11-13,15H2,(H2,23,26)(H,24,25) MXRVUBAIYLEIBV-UHFFFAOYSA-N 652685 3-[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)amino]-1-(pyrrolidin-1- yl)propan-1-one::US20240059691, Example 4302 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652685&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362806 494496832 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377505 Nc1ncc(Cl)c2cc(NCc3ccnc(NCC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H24ClN7/c24-20-14-30-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-26-21(9-15)29-13-16-4-7-31-8-6-27-22(31)10-16/h1-3,5-6,8-9,11,14,16,28H,4,7,10,12-13H2,(H2,25,30)(H,26,29) OJOAPDZWILJFFF-UHFFFAOYSA-N 652686 4-chloro-6-N-{[2-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethyl}amino)pyridin-4- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4303 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652686&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362807 494496833 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377506 Nc1nccc2c(NCc3ccnc(OC4CCn5ccnc5C4)c3)cccc12 InChI=1S/C22H22N6O/c23-22-18-2-1-3-19(17(18)5-8-26-22)27-14-15-4-7-25-21(12-15)29-16-6-10-28-11-9-24-20(28)13-16/h1-5,7-9,11-12,16,27H,6,10,13-14H2,(H2,23,26) VXRIIFJJYHZTRZ-UHFFFAOYSA-N 652687 5-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yloxy}pyridin-4-yl) methyl]isoquinoline- 1,5-diamine::US20240059691, Example 4306 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652687&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362808 494496834 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377507 Nc1ncc(F)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H23FN6O/c24-20-13-29-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-27-22(10-15)31-14-16-4-7-30-8-6-26-21(30)9-16/h1-3,5-6,8,10-11,13,16,28H,4,7,9,12,14H2,(H2,25,29) HMMQIOFQLZWHKO-UHFFFAOYSA-N 652688 4-fluoro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4307 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652688&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362809 494496835 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377508 Nc1ncc(F)c2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12 InChI=1S/C23H23FN6O/c24-18-13-29-23(25)17-2-1-3-19(22(17)18)28-12-15-4-6-27-21(11-15)31-14-16-5-8-30-9-7-26-20(30)10-16/h1-4,6-7,9,11,13,16,28H,5,8,10,12,14H2,(H2,25,29) AJQGZKKQAAWAPQ-UHFFFAOYSA-N 652689 4-fluoro-5-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-4- yl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 4308 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652689&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362810 494496836 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377509 Cc1cn2CCC(COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1 InChI=1S/C24H25ClN6O/c1-15-13-31-7-5-17(8-22(31)30-15)14-32-23-9-16(4-6-27-23)11-28-18-2-3-19-20(10-18)21(25)12-29-24(19)26/h2-4,6,9-10,12-13,17,28H,5,7-8,11,14H2,1H3,(H2,26,29) CSNSELBEUILYAV-UHFFFAOYSA-N 652690 4-chloro-6-N-{[2-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4309 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652690&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362811 494496837 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377510 Cc1cn2CCC(COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1 InChI=1S/C24H26N6O/c1-16-14-30-10-7-18(11-22(30)29-16)15-31-23-12-17(5-8-26-23)13-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12,14,18,28H,7,10-11,13,15H2,1H3,(H2,25,27) PGGPSANDIMXVMM-UHFFFAOYSA-N 652691 5-N-{[2-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,5-diamine::US20240059691, Example 4319 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652691&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390276 494496838 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377511 Cc1cnc2CC(COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12 InChI=1S/C24H26N6O/c1-16-13-29-22-11-18(7-10-30(16)22)15-31-23-12-17(5-8-26-23)14-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12-13,18,28H,7,10-11,14-15H2,1H3,(H2,25,27) VHTYTOFIDWLOHE-UHFFFAOYSA-N 652692 5-N-{[2-({3-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,5-diamine::US20240059691, Example 4320 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652692&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390197 494496839 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377512 Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27) RNYFAJPMYTZRIV-UHFFFAOYSA-N 652653 6-N-({2-[(7S*)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy]pyridin-4- yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4267::US20240059691, Example 4408 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652653&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390500 494496801 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377513 CN1CCC(CCc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C23H29N5/c1-28-12-8-17(9-13-28)2-3-20-14-18(6-10-25-20)16-27-21-4-5-22-19(15-21)7-11-26-23(22)24/h4-7,10-11,14-15,17,27H,2-3,8-9,12-13,16H2,1H3,(H2,24,26) MYZFWKPZRQTGDE-UHFFFAOYSA-N 652694 6-N-({2-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4409 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652694&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928374 494496840 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377514 CN1CCC(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1 InChI=1S/C24H30N4/c1-28-13-10-18(11-14-28)5-6-19-3-2-4-20(15-19)17-27-22-7-8-23-21(16-22)9-12-26-24(23)25/h2-4,7-9,12,15-16,18,27H,5-6,10-11,13-14,17H2,1H3,(H2,25,26) QUBLOCCBHUAIEQ-UHFFFAOYSA-N 652695 6-N-({3-[2-(1-methylpiperidin-4-yl)ethyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4410 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652695&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928446 494496841 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377515 Nc1nccc2cc(NCc3ccnc(OCC4CCn5cnnc5C4)c3)ccc12 InChI=1S/C22H23N7O/c23-22-19-2-1-18(11-17(19)4-7-25-22)26-12-15-3-6-24-21(10-15)30-13-16-5-8-29-14-27-28-20(29)9-16/h1-4,6-7,10-11,14,16,26H,5,8-9,12-13H2,(H2,23,25) IXAPTUBRKHJHFS-UHFFFAOYSA-N 652696 6-N-[(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethoxy}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4411 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652696&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362812 494496842 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377516 Nc1nccc2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27)/t17-/m1/s1 RNYFAJPMYTZRIV-QGZVFWFLSA-N 652697 6-N-({2-[(7R*)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy]pyridin-4- yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4412 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652697&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 167098813 494496843 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377517 Cc1nnc2CC(COc3cc(CNc4ccc5c(N)nccc5c4)ccn3)CCn12 InChI=1S/C23H25N7O/c1-15-28-29-21-10-17(6-9-30(15)21)14-31-22-11-16(4-7-25-22)13-27-19-2-3-20-18(12-19)5-8-26-23(20)24/h2-5,7-8,11-12,17,27H,6,9-10,13-14H2,1H3,(H2,24,26) FDSAYBOXNBUDLW-UHFFFAOYSA-N 652698 6-N-{[2-({3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-yl}methoxy)pyridin-4- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4413 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652698&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362813 494496844 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377518 CC(Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1)C1CCN(C)CC1 InChI=1S/C23H29N5O/c1-16(18-7-11-28(2)12-8-18)29-22-13-17(5-9-25-22)15-27-20-3-4-21-19(14-20)6-10-26-23(21)24/h3-6,9-10,13-14,16,18,27H,7-8,11-12,15H2,1-2H3,(H2,24,26) LYEHEUAZOOESEO-UHFFFAOYSA-N 652699 6-N-({2-[1-(1-methylpiperidin-4-yl)ethoxy]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4414 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652699&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928442 494496845 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377519 CN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C22H26FN5O/c1-28-10-6-22(23,7-11-28)15-29-20-12-16(4-8-25-20)14-27-18-2-3-19-17(13-18)5-9-26-21(19)24/h2-5,8-9,12-13,27H,6-7,10-11,14-15H2,1H3,(H2,24,26) BFQNKMMUOHHACP-UHFFFAOYSA-N 652700 6-N-({2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 4415 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652700&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362814 494496846 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377520 CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1=O InChI=1S/C22H25N5O2/c1-27-9-6-16(11-21(27)28)14-29-20-10-15(4-7-24-20)13-26-18-2-3-19-17(12-18)5-8-25-22(19)23/h2-5,7-8,10,12,16,26H,6,9,11,13-14H2,1H3,(H2,23,25) IJBCZEFYSVVQCJ-UHFFFAOYSA-N 652701 4-{[(4-{[(1-aminoisoquinolin-6-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-1- methylpiperidin-2-one::US20240059691, Example 4416 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652701&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362815 494496847 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377521 CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1=O InChI=1S/C22H25N5O2/c1-27-10-7-16(12-21(27)28)14-29-20-11-15(5-8-24-20)13-26-19-4-2-3-18-17(19)6-9-25-22(18)23/h2-6,8-9,11,16,26H,7,10,12-14H2,1H3,(H2,23,25) MFBISHBYEWTWMC-UHFFFAOYSA-N 652702 4-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-1- methylpiperidin-2-one::US20240059691, Example 4417 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652702&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362816 494496848 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377522 CN1C[C@H]2C(COc3cc(CNc4cccc5c(N)nccc45)ccn3)[C@H]2C1 InChI=1S/C22H25N5O/c1-27-11-17-18(12-27)19(17)13-28-21-9-14(5-7-24-21)10-26-20-4-2-3-16-15(20)6-8-25-22(16)23/h2-9,17-19,26H,10-13H2,1H3,(H2,23,25)/t17-,18+,19? KKMDOLSFQQCZGC-DFNIBXOVSA-N 652703 5-N-[(2-{[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy}pyridin-4- yl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 4418 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652703&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362817 494496849 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377523 CN(Cc1ccnc(OCC2CCN(C)CC2)c1)c1cccc2c(N)nccc12 InChI=1S/C23H29N5O/c1-27-12-8-17(9-13-27)16-29-22-14-18(6-10-25-22)15-28(2)21-5-3-4-20-19(21)7-11-26-23(20)24/h3-7,10-11,14,17H,8-9,12-13,15-16H2,1-2H3,(H2,24,26) HRTOIBPNAUKSTE-UHFFFAOYSA-N 652704 N5-methyl-N5-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinoline- 1,5-diamine::US20240059691, Example 4419 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652704&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362818 494496850 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377524 Cn1ccnc1CCCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C22H24N6O/c1-28-11-10-24-20(28)3-2-12-29-21-13-16(6-8-25-21)15-27-18-4-5-19-17(14-18)7-9-26-22(19)23/h4-11,13-14,27H,2-3,12,15H2,1H3,(H2,23,26) POKGXFZJGCGYEF-UHFFFAOYSA-N 652705 6-N-({2-[3-(1-methylimidazol-2-yl)propoxy]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4420 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652705&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928452 494496851 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377525 Cn1ccnc1CCCOc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C22H24N6O/c1-28-12-11-24-20(28)6-3-13-29-21-14-16(7-9-25-21)15-27-19-5-2-4-18-17(19)8-10-26-22(18)23/h2,4-5,7-12,14,27H,3,6,13,15H2,1H3,(H2,23,26) PRTWCDSIQRRULF-UHFFFAOYSA-N 652706 5-N-({2-[3-(1-methylimidazol-2-yl)propoxy]pyridin-4-yl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 4421 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652706&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928398 494496852 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377526 Cn1ccnc1COc1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C20H20N6O/c1-26-9-8-22-18(26)13-27-19-10-14(4-6-23-19)12-25-16-2-3-17-15(11-16)5-7-24-20(17)21/h2-11,25H,12-13H2,1H3,(H2,21,24) LICTXPSAXZDXMN-UHFFFAOYSA-N 652707 6-N-({2-[(1-methylimidazol-2-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4422 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652707&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928389 494496853 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377527 Cn1ccnc1COc1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C20H20N6O/c1-26-10-9-22-18(26)13-27-19-11-14(5-7-23-19)12-25-17-4-2-3-16-15(17)6-8-24-20(16)21/h2-11,25H,12-13H2,1H3,(H2,21,24) PNUXAPZWMDGHES-UHFFFAOYSA-N 652708 N5-((2-((1-methyl-1H-imidazol-2-yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 4423 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652708&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362819 494496854 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377528 CN1CCC(C)(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1 InChI=1S/C23H29N5O/c1-23(8-12-28(2)13-9-23)16-29-21-14-17(6-10-25-21)15-27-20-5-3-4-19-18(20)7-11-26-22(19)24/h3-7,10-11,14,27H,8-9,12-13,15-16H2,1-2H3,(H2,24,26) DHKUTIQQPVLBKH-UHFFFAOYSA-N 652709 N5-((2-((1,4-dimethylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 4424 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652709&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362820 494496855 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377529 CN1CCC(C)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1 InChI=1S/C23H29N5O/c1-23(7-11-28(2)12-8-23)16-29-21-13-17(5-9-25-21)15-27-19-3-4-20-18(14-19)6-10-26-22(20)24/h3-6,9-10,13-14,27H,7-8,11-12,15-16H2,1-2H3,(H2,24,26) NJDXNEAIGXTHQR-UHFFFAOYSA-N 652710 6-N-({2-[(1,4-dimethylpiperidin-4-yl)methoxy]pyridin-4-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 4425 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652710&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362821 494496856 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377530 CN1CCN(CC1)c1cc(CNc2cccc3c(N)nccc23)ccn1 InChI=1S/C20H24N6/c1-25-9-11-26(12-10-25)19-13-15(5-7-22-19)14-24-18-4-2-3-17-16(18)6-8-23-20(17)21/h2-8,13,24H,9-12,14H2,1H3,(H2,21,23) ILJYYWNJCGUIRQ-UHFFFAOYSA-N 652711 5-N-{[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl}isoquinoline-1,5-diamine::US20240059691, Example 4426 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652711&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928346 494496857 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377531 CN1CCN(CC1)c1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1 InChI=1S/C20H23ClN6/c1-26-6-8-27(9-7-26)19-10-14(4-5-23-19)12-24-15-2-3-16-17(11-15)18(21)13-25-20(16)22/h2-5,10-11,13,24H,6-9,12H2,1H3,(H2,22,25) RVZGGBVSLRRBBB-UHFFFAOYSA-N 652712 4-chloro-6-N-{[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 4427 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652712&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928358 494496858 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377532 Nc1ncc(Cl)c2cc(NCc3ccnc(NCCC(=O)N4CCCC4)c3)ccc12 InChI=1S/C22H25ClN6O/c23-19-14-28-22(24)17-4-3-16(12-18(17)19)27-13-15-5-7-25-20(11-15)26-8-6-21(30)29-9-1-2-10-29/h3-5,7,11-12,14,27H,1-2,6,8-10,13H2,(H2,24,28)(H,25,26) MPMXSQAVVNWKKX-UHFFFAOYSA-N 652713 3-[(4-{[(1-amino-4-chloroisoquinolin-6-yl)amino]methyl}pyridin-2-yl)amino]-1- (pyrrolidin-1-yl)propan-1-one::US20240059691, Example 4428 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652713&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362822 494496859 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377533 Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ncc12 InChI=1S/C22H23N7O/c23-22-18-13-28-19(11-17(18)2-5-26-22)27-12-15-1-4-25-21(10-15)30-14-16-3-7-29-8-6-24-20(29)9-16/h1-2,4-6,8,10-11,13,16H,3,7,9,12,14H2,(H2,23,26)(H,27,28) QYAKYTAQLVVGGM-UHFFFAOYSA-N 652714 6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-4-yl)methyl]-2,7- naphthyridine-1,6-diamine::US20240059691, Example 4429 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652714&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390300 494496860 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377534 Nc1nccc2c(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)cccc12 InChI=1S/C23H24N6O/c24-23-19-2-1-3-20(18(19)5-8-27-23)28-14-16-4-7-26-22(13-16)30-15-17-6-10-29-11-9-25-21(29)12-17/h1-5,7-9,11,13,17,28H,6,10,12,14-15H2,(H2,24,27)/t17-/m0/s1 NDQYBUYVXIWGNJ-KRWDZBQOSA-N 652715 (S*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4430 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652715&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362823 494496861 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377535 Nc1nccc2c(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)cccc12 InChI=1S/C23H24N6O/c24-23-19-2-1-3-20(18(19)5-8-27-23)28-14-16-4-7-26-22(13-16)30-15-17-6-10-29-11-9-25-21(29)12-17/h1-5,7-9,11,13,17,28H,6,10,12,14-15H2,(H2,24,27)/t17-/m1/s1 NDQYBUYVXIWGNJ-QGZVFWFLSA-N 652716 (R*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4431 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652716&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362824 494496862 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377536 Nc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12 InChI=1S/C22H21ClN6O/c23-19-13-28-22(24)17-2-1-15(10-18(17)19)27-12-14-3-5-26-21(9-14)30-16-4-7-29-8-6-25-20(29)11-16/h1-3,5-6,8-10,13,16,27H,4,7,11-12H2,(H2,24,28) ASSIORTXMOIMSW-UHFFFAOYSA-N 652717 4-chloro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yloxy}pyridin-4- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 4432 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652717&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362825 494496863 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377537 Nc1ncc(Cl)c2cc(NCc3ccnc(OCc4ccn5ccnc5c4)c3)ccc12 InChI=1S/C23H19ClN6O/c24-20-13-29-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-27-22(10-15)31-14-16-4-7-30-8-6-26-21(30)9-16/h1-11,13,28H,12,14H2,(H2,25,29) KPCPBXOSEJYJMI-UHFFFAOYSA-N 652718 4-chloro-6-N-[(2-{imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-4-yl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 4433 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652718&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362826 494496864 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377538 Nc1nccc2cc(NCc3ccnc(c3)-c3cccc(CN4CCCC4)c3)ccc12 InChI=1S/C26H27N5/c27-26-24-7-6-23(16-21(24)9-11-29-26)30-17-19-8-10-28-25(15-19)22-5-3-4-20(14-22)18-31-12-1-2-13-31/h3-11,14-16,30H,1-2,12-13,17-18H2,(H2,27,29) RJQLFWVERDFMFU-UHFFFAOYSA-N 652719 6-N-({2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4434::US20240059691, Example 5434 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652719&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928378 494496865 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377539 CN1CC(C1)C1CN(C1)c1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C22H26N6/c1-27-11-17(12-27)18-13-28(14-18)21-8-15(4-6-24-21)10-26-19-2-3-20-16(9-19)5-7-25-22(20)23/h2-9,17-18,26H,10-14H2,1H3,(H2,23,25) QCLWJMUFTKLIAE-UHFFFAOYSA-N 652720 6-N-({2-[3-(1-methylazetidin-3-yl)azetidin-1-yl]pyridin-4-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 4435::US20240059691, Example 5435 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652720&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928438 494496866 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377540 Nc1nccc2c(NCc3ccnc(c3)N3CCn4ccnc4C3)cccc12 InChI=1S/C21H21N7/c22-21-17-2-1-3-18(16(17)5-7-25-21)26-13-15-4-6-23-19(12-15)28-11-10-27-9-8-24-20(27)14-28/h1-9,12,26H,10-11,13-14H2,(H2,22,25) DVKBAFOJFMJCAO-UHFFFAOYSA-N 652721 5-N-[(2-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}pyridin-4-yl)methyl]isoquinoline-1,5- diamine::US20240059691, Example 4436::US20240059691, Example 5436 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652721&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362827 494496867 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377541 Nc1ncc(Cl)c2cc(NCc3ccnc(c3)N3CCn4ccnc4C3)ccc12 InChI=1S/C21H20ClN7/c22-18-12-27-21(23)16-2-1-15(10-17(16)18)26-11-14-3-4-24-19(9-14)29-8-7-28-6-5-25-20(28)13-29/h1-6,9-10,12,26H,7-8,11,13H2,(H2,23,27) LAEZPLWSRMVDKT-UHFFFAOYSA-N 652722 4-chloro-6-N-[(2-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}pyridin-4-yl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 4437::US20240059691, Example 5437 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362828 494496868 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377542 Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-27-22(10-15)31-14-16-4-7-30-8-6-26-21(30)9-16/h1-3,5-6,8,10-11,13,16,28H,4,7,9,12,14H2,(H2,25,29)/t16-/m0/s1 MABZHGPFQUEHHT-INIZCTEOSA-N 652723 (S*)-4-chloro-N6-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4438 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652723&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362829 494496869 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377543 Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-23(25)18-2-1-17(11-19(18)20)28-12-15-3-5-27-22(10-15)31-14-16-4-7-30-8-6-26-21(30)9-16/h1-3,5-6,8,10-11,13,16,28H,4,7,9,12,14H2,(H2,25,29)/t16-/m1/s1 MABZHGPFQUEHHT-MRXNPFEDSA-N 652724 (R*)-4-chloro-N6-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4439 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652724&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362830 494496870 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377544 Cc1n[nH]c2C(CCc12)Nc1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1 652725 4-chloro-N6-((2-((3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)amino)pyridin- 4-yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4440 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652725&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362831 494496871 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377545 CC(C)N1CCC(CN(CCCO)C(=O)c2cccc(CNc3cccc4c(N)nccc34)c2)CC1 InChI=1S/C29H39N5O2/c1-21(2)33-15-11-22(12-16-33)20-34(14-5-17-35)29(36)24-7-3-6-23(18-24)19-32-27-9-4-8-26-25(27)10-13-31-28(26)30/h3-4,6-10,13,18,21-22,32,35H,5,11-12,14-17,19-20H2,1-2H3,(H2,30,31) CQDVUJSXYFSSHR-UHFFFAOYSA-N 652726 3-{[(1-aminoisoquinolin-5-yl)amino]methyl}-N-(3-hydroxypropyl)-N-[(1- isopropylpiperidin-4-yl)methyl]benzamide::US20240059691, Example 4441::US20240059691, Example 5441 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652726&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362832 494496872 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377546 Cc1cn2CC[C@@H](COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1 InChI=1S/C24H25ClN6O/c1-15-13-31-7-5-17(8-22(31)30-15)14-32-23-9-16(4-6-27-23)11-28-18-2-3-19-20(10-18)21(25)12-29-24(19)26/h2-4,6,9-10,12-13,17,28H,5,7-8,11,14H2,1H3,(H2,26,29)/t17-/m1/s1 CSNSELBEUILYAV-QGZVFWFLSA-N 652727 (R*)-4-chloro-N6-((2-((2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7- yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4442 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652727&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362833 494496873 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377547 Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCCn5ccnc45)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-22(25)18-4-3-17(11-19(18)20)28-12-15-5-6-26-21(10-15)31-14-16-2-1-8-30-9-7-27-23(16)30/h3-7,9-11,13,16,28H,1-2,8,12,14H2,(H2,25,29) PIUDHEFNICCZME-UHFFFAOYSA-N 652728 4-chloro-N6-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4443 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652728&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362834 494496874 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377548 Cc1cnc2C[C@@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12 InChI=1S/C24H26N6O/c1-16-13-29-22-11-18(7-10-30(16)22)15-31-23-12-17(5-8-26-23)14-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12-13,18,28H,7,10-11,14-15H2,1H3,(H2,25,27)/t18-/m0/s1 VHTYTOFIDWLOHE-SFHVURJKSA-N 652729 (S*)-N5-((2-((3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4444 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652729&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362835 494496875 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377549 Cc1cnc2C[C@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)CCn12 InChI=1S/C24H26N6O/c1-16-13-29-22-11-18(7-10-30(16)22)15-31-23-12-17(5-8-26-23)14-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12-13,18,28H,7,10-11,14-15H2,1H3,(H2,25,27)/t18-/m1/s1 VHTYTOFIDWLOHE-GOSISDBHSA-N 652730 (R*)-N5-((2-((3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4445 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652730&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362836 494496876 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377550 Cc1cn2CC[C@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1 InChI=1S/C24H26N6O/c1-16-14-30-10-7-18(11-22(30)29-16)15-31-23-12-17(5-8-26-23)13-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12,14,18,28H,7,10-11,13,15H2,1H3,(H2,25,27)/t18-/m0/s1 PGGPSANDIMXVMM-SFHVURJKSA-N 652731 (S*)-N5-((2-((2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4446 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652731&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362837 494496877 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377551 Cc1cn2CC[C@@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1 InChI=1S/C24H26N6O/c1-16-14-30-10-7-18(11-22(30)29-16)15-31-23-12-17(5-8-26-23)13-28-21-4-2-3-20-19(21)6-9-27-24(20)25/h2-6,8-9,12,14,18,28H,7,10-11,13,15H2,1H3,(H2,25,27)/t18-/m1/s1 PGGPSANDIMXVMM-GOSISDBHSA-N 652732 (R*)-N5-((2-((2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4447 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652732&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362838 494496878 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377552 Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5c(CO)cnc5C4)c3)ccc12 InChI=1S/C24H25ClN6O2/c25-21-12-30-24(26)19-2-1-17(9-20(19)21)28-10-15-3-5-27-23(8-15)33-14-16-4-6-31-18(13-32)11-29-22(31)7-16/h1-3,5,8-9,11-12,16,28,32H,4,6-7,10,13-14H2,(H2,26,30) SWVWAZLEARISBG-UHFFFAOYSA-N 652733 (7-(((4-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)pyridin-2-yl)oxy)methyl)- 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanol::US20240059691, Example 4448 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652733&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362839 494496879 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377553 Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5cc(CO)nc5C4)c3)ccc12 InChI=1S/C24H25ClN6O2/c25-21-11-29-24(26)19-2-1-17(9-20(19)21)28-10-15-3-5-27-23(8-15)33-14-16-4-6-31-12-18(13-32)30-22(31)7-16/h1-3,5,8-9,11-12,16,28,32H,4,6-7,10,13-14H2,(H2,26,29) XQRKYMOJJOXHBZ-UHFFFAOYSA-N 652734 (7-(((4-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)pyridin-2-yl)oxy)methyl)- 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol::US20240059691, Example 4449 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652734&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362840 494496880 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377554 Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCCn5ccnc45)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-22(25)18-4-3-17(11-19(18)20)28-12-15-5-6-26-21(10-15)31-14-16-2-1-8-30-9-7-27-23(16)30/h3-7,9-11,13,16,28H,1-2,8,12,14H2,(H2,25,29)/t16-/m1/s1 PIUDHEFNICCZME-MRXNPFEDSA-N 652735 (S*)-4-chloro-N6-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4450 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652735&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362841 494496881 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377555 Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCCn5ccnc45)c3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-22(25)18-4-3-17(11-19(18)20)28-12-15-5-6-26-21(10-15)31-14-16-2-1-8-30-9-7-27-23(16)30/h3-7,9-11,13,16,28H,1-2,8,12,14H2,(H2,25,29)/t16-/m0/s1 PIUDHEFNICCZME-INIZCTEOSA-N 652736 (R*)-4-chloro-N6-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4451 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652736&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362842 494496882 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377556 Nc1nccc2c(CCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12 InChI=1S/C24H25N5O/c25-24-21-3-1-2-19(20(21)7-10-28-24)5-4-17-6-9-27-23(15-17)30-16-18-8-12-29-13-11-26-22(29)14-18/h1-3,6-7,9-11,13,15,18H,4-5,8,12,14,16H2,(H2,25,28) GANUYKJXFODNNH-UHFFFAOYSA-N 652737 5-(2-(2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-4- yl)ethyl)isoquinolin-1-amine::US20240059691, Example 4452 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652737&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362843 494496883 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377557 CN(c1ccnc(OCC2CCN(C)CC2)c1)c1ccc2ncc(=O)[nH]c2c1 InChI=1S/C21H25N5O2/c1-25-9-6-15(7-10-25)14-28-21-12-17(5-8-22-21)26(2)16-3-4-18-19(11-16)24-20(27)13-23-18/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,24,27) KXQJLZZKIBAROO-UHFFFAOYSA-N 652738 7-(methyl(2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)amino)quinoxalin-2(1H)-one::US20240059691, Example 4456 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652738&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362844 494496884 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377558 CN1CCC(COc2cc(CNc3ccnc4[nH]ccc34)ccn2)CC1 InChI=1S/C20H25N5O/c1-25-10-5-15(6-11-25)14-26-19-12-16(2-7-21-19)13-24-18-4-9-23-20-17(18)3-8-22-20/h2-4,7-9,12,15H,5-6,10-11,13-14H2,1H3,(H2,22,23,24) JYTMJESYCLLJDR-UHFFFAOYSA-N 652739 N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-4- amine::US20240059691, Example 4459 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652739&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362845 494496885 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377559 CN(c1ccnc(OCC2CCN(C)CC2)c1)c1cnc2[nH]cc(C#N)c2c1 InChI=1S/C21H24N6O/c1-26-7-4-15(5-8-26)14-28-20-10-17(3-6-23-20)27(2)18-9-19-16(11-22)12-24-21(19)25-13-18/h3,6,9-10,12-13,15H,4-5,7-8,14H2,1-2H3,(H,24,25) LBGKPJIADAFZOI-UHFFFAOYSA-N 652740 5-(methyl(2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)amino)-1H-pyrrolo[2,3- b]pyridine-3-carbonitrile::US20240059691, Example 4460 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652740&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362846 494496886 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377560 CN1CCC(COc2cc(CNc3cccc4c(N)ncc(F)c34)ccn2)CC1 InChI=1S/C22H26FN5O/c1-28-9-6-15(7-10-28)14-29-20-11-16(5-8-25-20)12-26-19-4-2-3-17-21(19)18(23)13-27-22(17)24/h2-5,8,11,13,15,26H,6-7,9-10,12,14H2,1H3,(H2,24,27) DVZGMBMRSZYOQY-UHFFFAOYSA-N 652741 4-fluoro-N5-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 4461 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652741&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362847 494496887 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377561 COc1cc(NCc2ccnc(OCC3CCN(C)CC3)c2)cc2ccncc12 InChI=1S/C23H28N4O2/c1-27-9-5-17(6-10-27)16-29-23-11-18(3-8-25-23)14-26-20-12-19-4-7-24-15-21(19)22(13-20)28-2/h3-4,7-8,11-13,15,17,26H,5-6,9-10,14,16H2,1-2H3 VCIKYAMULKYYHT-UHFFFAOYSA-N 652742 8-methoxy-N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinolin-6- amine::US20240059691, Example 4462 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652742&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362848 494496888 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377562 CNC(=O)c1cc(cc2ccncc12)N(C)c1ccnc(OCC2CCN(C)CC2)c1 InChI=1S/C24H29N5O2/c1-25-24(30)21-13-20(12-18-4-8-26-15-22(18)21)29(3)19-5-9-27-23(14-19)31-16-17-6-10-28(2)11-7-17/h4-5,8-9,12-15,17H,6-7,10-11,16H2,1-3H3,(H,25,30) OPOOBCSVRFDHBZ-UHFFFAOYSA-N 652743 N-methyl-6-(methyl(2-((1-methylpiperidin-4-yl)methoxy)pyridin-4- yl)amino)isoquinoline-8-carboxamide::US20240059691, Example 4463 Coagulation factor XII 75000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652743&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362849 494496889 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377563 CN1CCC(COc2cc(CNc3cc(C)c4cnccc4c3)ccn2)CC1 InChI=1S/C23H28N4O/c1-17-11-21(13-20-4-7-24-15-22(17)20)26-14-19-3-8-25-23(12-19)28-16-18-5-9-27(2)10-6-18/h3-4,7-8,11-13,15,18,26H,5-6,9-10,14,16H2,1-2H3 HKBDZTCNUODKEC-UHFFFAOYSA-N 652744 8-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinolin-6- amine::US20240059691, Example 4464 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652744&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362850 494496890 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377564 CN1CCC(COc2cc(CNc3ccnc4[nH]c(C)cc34)ccn2)CC1 InChI=1S/C21H27N5O/c1-15-11-18-19(4-8-23-21(18)25-15)24-13-17-3-7-22-20(12-17)27-14-16-5-9-26(2)10-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13-14H2,1-2H3,(H2,23,24,25) HDYDEOLDSIUJSX-UHFFFAOYSA-N 652745 2-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)-1H-pyrrolo[2,3- b]pyridin-4-amine::US20240059691, Example 4465 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652745&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362851 494496891 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377565 CN1CCC(COc2cc(CNc3ccc4cnccc4c3F)ccn2)CC1 InChI=1S/C22H25FN4O/c1-27-10-6-16(7-11-27)15-28-21-12-17(4-9-25-21)13-26-20-3-2-18-14-24-8-5-19(18)22(20)23/h2-5,8-9,12,14,16,26H,6-7,10-11,13,15H2,1H3 RCOQXBPCGJCFQX-UHFFFAOYSA-N 652746 5-fluoro-N-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinolin-6- amine::US20240059691, Example 4466 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652746&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362852 494496892 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377566 Nc1nccc2c(NCc3ccnc(OCC4CCn5c(C4)nnc5C(F)F)c3)cccc12 InChI=1S/C23H23F2N7O/c24-21(25)23-31-30-19-10-15(6-9-32(19)23)13-33-20-11-14(4-7-27-20)12-29-18-3-1-2-17-16(18)5-8-28-22(17)26/h1-5,7-8,11,15,21,29H,6,9-10,12-13H2,(H2,26,28) YHMGDTWUZGOVRL-UHFFFAOYSA-N 652747 N5-((2-((3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7- yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4467 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652747&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362853 494496893 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377567 Cn1c(COc2cc(CNc3cccc4c(N)nccc34)ccn2)nnc1C1CC1 InChI=1S/C22H23N7O/c1-29-19(27-28-22(29)15-5-6-15)13-30-20-11-14(7-9-24-20)12-26-18-4-2-3-17-16(18)8-10-25-21(17)23/h2-4,7-11,15,26H,5-6,12-13H2,1H3,(H2,23,25) VCSMMVIIOANDQA-UHFFFAOYSA-N 652748 N5-((2-((5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methoxy)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4468 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652748&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362854 494496894 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377568 CN1CCC(COc2cc(CNc3ccc(F)c4c(N)nccc34)ccn2)CC1 InChI=1S/C22H26FN5O/c1-28-10-6-15(7-11-28)14-29-20-12-16(4-8-25-20)13-27-19-3-2-18(23)21-17(19)5-9-26-22(21)24/h2-5,8-9,12,15,27H,6-7,10-11,13-14H2,1H3,(H2,24,26) LSKPXPLWMKWCHU-UHFFFAOYSA-N 652749 8-fluoro-N5-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 4469 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652749&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362855 494496895 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377569 COc1ccc(NCc2ccnc(OCC3CCN(C)CC3)c2)c2ccnc(N)c12 InChI=1S/C23H29N5O2/c1-28-11-7-16(8-12-28)15-30-21-13-17(5-9-25-21)14-27-19-3-4-20(29-2)22-18(19)6-10-26-23(22)24/h3-6,9-10,13,16,27H,7-8,11-12,14-15H2,1-2H3,(H2,24,26) OBRMYBVETQYTBA-UHFFFAOYSA-N 652750 8-methoxy-N5-((2-((1-methylpiperidin-4-yl)methoxy)pyridin-4-yl)methyl)isoquinoline- 1,5-diamine::US20240059691, Example 4470 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652750&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362856 494496896 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377570 Nc1nccc2cc(NCc3ccnc(c3)N3CCn4c(C3)nnc4C(F)(F)F)ccc12 InChI=1S/C21H19F3N8/c22-21(23,24)20-30-29-18-12-31(7-8-32(18)20)17-9-13(3-5-26-17)11-28-15-1-2-16-14(10-15)4-6-27-19(16)25/h1-6,9-10,28H,7-8,11-12H2,(H2,25,27) IRPCNDSTFGMSKM-UHFFFAOYSA-N 652751 N6-((2-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-4- yl)methyl)isoquinoline-1,6-diamine::US20240059691, Example 4471 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652751&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362857 494496897 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377571 Nc1nccc2c(NCc3ccnc(c3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C21H19F3N8/c22-21(23,24)20-30-29-18-12-31(8-9-32(18)20)17-10-13(4-6-26-17)11-28-16-3-1-2-15-14(16)5-7-27-19(15)25/h1-7,10,28H,8-9,11-12H2,(H2,25,27) BHPZLQCVTCQJTB-UHFFFAOYSA-N 652752 N5-((2-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-4- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 4472 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652752&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362858 494496898 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377572 Nc1nccc2cc(NCc3ccnc(c3)-c3cccc(CN4CCCC4)c3)ccc12 InChI=1S/C26H27N5/c27-26-24-7-6-23(16-21(24)9-11-29-26)30-17-19-8-10-28-25(15-19)22-5-3-4-20(14-22)18-31-12-1-2-13-31/h3-11,14-16,30H,1-2,12-13,17-18H2,(H2,27,29) RJQLFWVERDFMFU-UHFFFAOYSA-N 652719 6-N-({2-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-4-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 4434::US20240059691, Example 5434 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652719&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928378 494496865 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377573 CN1CC(C1)C1CN(C1)c1cc(CNc2ccc3c(N)nccc3c2)ccn1 InChI=1S/C22H26N6/c1-27-11-17(12-27)18-13-28(14-18)21-8-15(4-6-24-21)10-26-19-2-3-20-16(9-19)5-7-25-22(20)23/h2-9,17-18,26H,10-14H2,1H3,(H2,23,25) QCLWJMUFTKLIAE-UHFFFAOYSA-N 652720 6-N-({2-[3-(1-methylazetidin-3-yl)azetidin-1-yl]pyridin-4-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 4435::US20240059691, Example 5435 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652720&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928438 494496866 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377574 Nc1nccc2c(NCc3ccnc(c3)N3CCn4ccnc4C3)cccc12 InChI=1S/C21H21N7/c22-21-17-2-1-3-18(16(17)5-7-25-21)26-13-15-4-6-23-19(12-15)28-11-10-27-9-8-24-20(27)14-28/h1-9,12,26H,10-11,13-14H2,(H2,22,25) DVKBAFOJFMJCAO-UHFFFAOYSA-N 652721 5-N-[(2-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}pyridin-4-yl)methyl]isoquinoline-1,5- diamine::US20240059691, Example 4436::US20240059691, Example 5436 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652721&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362827 494496867 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377575 Nc1ncc(Cl)c2cc(NCc3ccnc(c3)N3CCn4ccnc4C3)ccc12 InChI=1S/C21H20ClN7/c22-18-12-27-21(23)16-2-1-15(10-17(16)18)26-11-14-3-4-24-19(9-14)29-8-7-28-6-5-25-20(28)13-29/h1-6,9-10,12,26H,7-8,11,13H2,(H2,23,27) LAEZPLWSRMVDKT-UHFFFAOYSA-N 652722 4-chloro-6-N-[(2-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}pyridin-4-yl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 4437::US20240059691, Example 5437 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652722&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362828 494496868 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377576 CC(C)N1CCC(CN(CCCO)C(=O)c2cccc(CNc3cccc4c(N)nccc34)c2)CC1 InChI=1S/C29H39N5O2/c1-21(2)33-15-11-22(12-16-33)20-34(14-5-17-35)29(36)24-7-3-6-23(18-24)19-32-27-9-4-8-26-25(27)10-13-31-28(26)30/h3-4,6-10,13,18,21-22,32,35H,5,11-12,14-17,19-20H2,1-2H3,(H2,30,31) CQDVUJSXYFSSHR-UHFFFAOYSA-N 652726 3-{[(1-aminoisoquinolin-5-yl)amino]methyl}-N-(3-hydroxypropyl)-N-[(1- isopropylpiperidin-4-yl)methyl]benzamide::US20240059691, Example 4441::US20240059691, Example 5441 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652726&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362832 494496872 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377577 Nc1ncc(Cl)c2cc(NCc3cccc(CC(=O)N4CCn5ccnc5C4)c3)ccc12 InChI=1S/C24H23ClN6O/c25-21-14-29-24(26)19-5-4-18(12-20(19)21)28-13-17-3-1-2-16(10-17)11-23(32)31-9-8-30-7-6-27-22(30)15-31/h1-7,10,12,14,28H,8-9,11,13,15H2,(H2,26,29) JWEQJWUQLJRRCI-UHFFFAOYSA-N 652758 2-(3-(((1-amino-4-chloroisoquinolin-6-yl)amino)methyl)phenyl)-1-(5,6- dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethan-1-one::US20240059691, Example 5442 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652758&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362859 494496899 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377578 Nc1nccc2c(NCc3cc(cs3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C20H18F3N7S/c21-20(22,23)19-28-27-17-10-29(6-7-30(17)19)12-8-13(31-11-12)9-26-16-3-1-2-15-14(16)4-5-25-18(15)24/h1-5,8,11,26H,6-7,9-10H2,(H2,24,25) ZARUCMDKBCWDCG-UHFFFAOYSA-N 652759 N5-((4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)thiophen- 2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 8459 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652759&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390386 494496900 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377579 Nc1nccc2c(NCc3ccc(cn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C21H19F3N8/c22-21(23,24)20-30-29-18-12-31(8-9-32(18)20)14-5-4-13(27-11-14)10-28-17-3-1-2-16-15(17)6-7-26-19(16)25/h1-7,11,28H,8-10,12H2,(H2,25,26) PHLLDHUJAMWXHD-UHFFFAOYSA-N 652760 N5-((5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-2- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9001 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652760&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362860 494496901 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377580 Nc1nccc2c(NCc3cnc(cn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C20H18F3N9/c21-20(22,23)19-30-29-17-11-31(6-7-32(17)19)16-10-26-12(9-28-16)8-27-15-3-1-2-14-13(15)4-5-25-18(14)24/h1-5,9-10,27H,6-8,11H2,(H2,24,25) TYYMJRZKUDJFKB-UHFFFAOYSA-N 652761 N5-((5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyrazin-2- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9002 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652761&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390277 494496902 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377581 Nc1nccc2c(NCc3cnc(nc3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C20H18F3N9/c21-20(22,23)18-30-29-16-11-31(6-7-32(16)18)19-27-9-12(10-28-19)8-26-15-3-1-2-14-13(15)4-5-25-17(14)24/h1-5,9-10,26H,6-8,11H2,(H2,24,25) SKFSIGWPCSGGAW-UHFFFAOYSA-N 652762 N5-((2-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyrimidin- 5-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9003 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652762&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362861 494496903 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377582 Nc1nccc2c(NCc3ccc(nn3)N3CCn4c(C3)nnc4C(F)(F)F)cccc12 InChI=1S/C20H18F3N9/c21-20(22,23)19-30-29-17-11-31(8-9-32(17)19)16-5-4-12(27-28-16)10-26-15-3-1-2-14-13(15)6-7-25-18(14)24/h1-7,26H,8-11H2,(H2,24,25) ZTRMXSLNTVCKKN-UHFFFAOYSA-N 652763 N5-((6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridazin- 3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9004 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652763&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390468 494496904 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377583 Cc1cc(cnc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C22H21F3N8/c1-13-9-14(32-7-8-33-19(12-32)30-31-21(33)22(23,24)25)10-28-18(13)11-29-17-4-2-3-16-15(17)5-6-27-20(16)26/h2-6,9-10,29H,7-8,11-12H2,1H3,(H2,26,27) MWDLRAJKBFJGKK-UHFFFAOYSA-N 652764 N5-((3-methyl-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9005 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652764&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390417 494496905 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377584 Cc1cc(nc(C)c1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C23H23F3N8/c1-13-10-19(33-8-9-34-20(12-33)31-32-22(34)23(24,25)26)30-14(2)17(13)11-29-18-5-3-4-16-15(18)6-7-28-21(16)27/h3-7,10,29H,8-9,11-12H2,1-2H3,(H2,27,28) SBFVHGJSVOMQJH-UHFFFAOYSA-N 652765 N5-((2,4-dimethyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9006 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652765&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362862 494496906 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377585 CC1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(C)c1 InChI=1S/C23H23F3N8/c1-13-10-15(33-8-9-34-21(14(33)2)31-32-22(34)23(24,25)26)11-29-19(13)12-30-18-5-3-4-17-16(18)6-7-28-20(17)27/h3-7,10-11,14,30H,8-9,12H2,1-2H3,(H2,27,28) WIACSVSMZOIFQN-UHFFFAOYSA-N 652766 N5-((3-methyl-5-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9007 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652766&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362863 494496907 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377586 CC1N(CCn2c1nnc2C(F)(F)F)c1cnc(CNc2cccc3c(N)nccc23)c(F)c1 InChI=1S/C22H20F4N8/c1-12-20-31-32-21(22(24,25)26)34(20)8-7-33(12)13-9-16(23)18(29-10-13)11-30-17-4-2-3-15-14(17)5-6-28-19(15)27/h2-6,9-10,12,30H,7-8,11H2,1H3,(H2,27,28) KCAWHJHOIDIKKR-UHFFFAOYSA-N 652767 N5-((3-fluoro-5-(8-methyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)pyridin-2-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 9008 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652767&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362864 494496908 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377587 Nc1nccc2c(cccc12)N1CCCC1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)F InChI=1S/C24H24F2N8/c25-22(26)24-31-30-21-14-32(11-12-34(21)24)20-7-6-15(13-29-20)18-5-2-10-33(18)19-4-1-3-17-16(19)8-9-28-23(17)27/h1,3-4,6-9,13,18,22H,2,5,10-12,14H2,(H2,27,28) WNPIAQBIXAUOBA-UHFFFAOYSA-N 652768 5-(2-(6-(3-(difluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)pyrrolidin-1-yl)isoquinolin-1-amine::US20240059691, Example 10001 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652768&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362865 494496909 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377588 Nc1nccc2c(cccc12)N1CCCC1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C24H23F3N8/c25-24(26,27)23-32-31-21-14-33(11-12-35(21)23)20-7-6-15(13-30-20)18-5-2-10-34(18)19-4-1-3-17-16(19)8-9-29-22(17)28/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H2,28,29) RVIHDYFOYNJDSF-UHFFFAOYSA-N 652769 5-(2-(6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)pyridin-3- yl)pyrrolidin-1-yl)isoquinolin-1-amine::US20240059691, Example 10002 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652769&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390225 494496910 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377589 Nc1nccc2c(cccc12)N1CCC[C@H]1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C24H23F3N8/c25-24(26,27)23-32-31-21-14-33(11-12-35(21)23)20-7-6-15(13-30-20)18-5-2-10-34(18)19-4-1-3-17-16(19)8-9-29-22(17)28/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H2,28,29)/t18-/m0/s1 RVIHDYFOYNJDSF-SFHVURJKSA-N 652770 (S*)-5-(2-(6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)pyrrolidin-1-yl)isoquinolin-1-amine::US20240059691, Example 10003 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652770&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100201 494496911 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377590 Nc1nccc2c(cccc12)N1CCC[C@@H]1c1ccc(nc1)N1CCn2c(C1)nnc2C(F)(F)F InChI=1S/C24H23F3N8/c25-24(26,27)23-32-31-21-14-33(11-12-35(21)23)20-7-6-15(13-30-20)18-5-2-10-34(18)19-4-1-3-17-16(19)8-9-29-22(17)28/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H2,28,29)/t18-/m1/s1 RVIHDYFOYNJDSF-GOSISDBHSA-N 652771 (R*)-5-(2-(6-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)- yl)pyridin-3-yl)pyrrolidin-1-yl)isoquinolin-1-amine::US20240059691, Example 10004 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652771&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 169100179 494496912 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377240 CN1CCC(CC1)Oc1ccc(CNc2ccc3c(N)nccc3c2)cn1 InChI=1S/C21H25N5O/c1-26-10-7-18(8-11-26)27-20-5-2-15(14-25-20)13-24-17-3-4-19-16(12-17)6-9-23-21(19)22/h2-6,9,12,14,18,24H,7-8,10-11,13H2,1H3,(H2,22,23) GXJGGSLRORREAO-UHFFFAOYSA-N 652421 6-N-({6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1001 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652421&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928349 494496573 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377241 CN1CCC(CC1)Oc1ccc(CNc2cccc3c(N)nccc23)cc1 InChI=1S/C22H26N4O/c1-26-13-10-18(11-14-26)27-17-7-5-16(6-8-17)15-25-21-4-2-3-20-19(21)9-12-24-22(20)23/h2-9,12,18,25H,10-11,13-15H2,1H3,(H2,23,24) UMFFCYDWHBQNPV-UHFFFAOYSA-N 652422 5-N-({4-[(1-methylpiperidin-4-yl)oxy]phenyl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 1002 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652422&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928480 494496574 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377242 CN1CCC(CC1)Oc1ccc(CNc2ccc3ccnc(N)c3c2)cc1 InChI=1S/C22H26N4O/c1-26-12-9-20(10-13-26)27-19-6-2-16(3-7-19)15-25-18-5-4-17-8-11-24-22(23)21(17)14-18/h2-8,11,14,20,25H,9-10,12-13,15H2,1H3,(H2,23,24) NKLMFKCXUKBJOU-UHFFFAOYSA-N 652423 7-N-({4-[(1-methylpiperidin-4-yl)oxy]phenyl}methyl)isoquinoline-1,7-diamine::US20240059691, Example 1003 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652423&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390390 494496575 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377243 CN1CCC(CC1)Oc1ccc(CNc2cnc3[nH]cc(Cl)c3c2)cc1 InChI=1S/C20H23ClN4O/c1-25-8-6-17(7-9-25)26-16-4-2-14(3-5-16)11-22-15-10-18-19(21)13-24-20(18)23-12-15/h2-5,10,12-13,17,22H,6-9,11H2,1H3,(H,23,24) ITXMGHQYSZOAPX-UHFFFAOYSA-N 652424 3-chloro-N-(4-((1-methylpiperidin-4-yl)oxy)benzyl)-1H-pyrrolo[2,3-b]pyridin-5-amine::US20240059691, Example 1004 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652424&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390384 494496576 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377244 CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C22H27N5O/c1-27-10-7-16(8-11-27)15-28-21-5-2-17(14-26-21)13-25-19-3-4-20-18(12-19)6-9-24-22(20)23/h2-6,9,12,14,16,25H,7-8,10-11,13,15H2,1H3,(H2,23,24) UXQJFMQHQIXERQ-UHFFFAOYSA-N 652425 6-N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1005 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652425&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390445 494496577 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377245 Nc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C23H24N6O/c24-23-20-3-2-19(12-18(20)5-7-26-23)27-13-17-1-4-22(28-14-17)30-15-16-6-9-29-10-8-25-21(29)11-16/h1-5,7-8,10,12,14,16,27H,6,9,11,13,15H2,(H2,24,26) CKNZDXKTBCVSIY-UHFFFAOYSA-N 652426 6-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1006::US20240059691, Example 1023::US20240059691, Example 1024 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390232 494496578 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377246 CN1CCN(Cc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1 InChI=1S/C22H27N5/c1-26-10-12-27(13-11-26)16-18-4-2-17(3-5-18)15-25-20-6-7-21-19(14-20)8-9-24-22(21)23/h2-9,14,25H,10-13,15-16H2,1H3,(H2,23,24) VRLSJDRIVYKGJX-UHFFFAOYSA-N 652427 6-N-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1007 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652427&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928458 494496579 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377247 CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1 InChI=1S/C22H26N4O/c1-26-10-7-17(8-11-26)16-27-22-5-2-18(14-25-22)13-24-21-4-3-20-15-23-9-6-19(20)12-21/h2-6,9,12,14-15,17,24H,7-8,10-11,13,16H2,1H3 LPENKDDSJSQSIP-UHFFFAOYSA-N 652428 N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinolin-6-amine::US20240059691, Example 1008 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652428&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390374 494496580 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377248 CN1CCC(COc2ccc(CNc3cccc4c(N)nccc34)cn2)CC1 InChI=1S/C22H27N5O/c1-27-11-8-16(9-12-27)15-28-21-6-5-17(14-26-21)13-25-20-4-2-3-19-18(20)7-10-24-22(19)23/h2-7,10,14,16,25H,8-9,11-13,15H2,1H3,(H2,23,24) RTTUBFUCOXOZCQ-UHFFFAOYSA-N 652429 5-N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinoline-1,5-diamine::US20240059691, Example 1009 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652429&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390547 494496581 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377249 CCN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C23H29N5O/c1-2-28-11-8-17(9-12-28)16-29-22-6-3-18(15-27-22)14-26-20-4-5-21-19(13-20)7-10-25-23(21)24/h3-7,10,13,15,17,26H,2,8-9,11-12,14,16H2,1H3,(H2,24,25) PRHIFYJJLKNAIF-UHFFFAOYSA-N 652430 6-N-({6-[(1-ethylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1010 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652430&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928402 494496582 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377250 CN1CCC(CC1)OCc1ccc(COc2ccc3c(N)nccc3c2)cc1 InChI=1S/C23H27N3O2/c1-26-12-9-20(10-13-26)27-15-17-2-4-18(5-3-17)16-28-21-6-7-22-19(14-21)8-11-25-23(22)24/h2-8,11,14,20H,9-10,12-13,15-16H2,1H3,(H2,24,25) QDUVSTRMUNWXBX-UHFFFAOYSA-N 652431 6-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)methoxy]isoquinolin-1-amine::US20240059691, Example 1011 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652431&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390482 494496583 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377251 CC(C)N1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C24H31N5O/c1-17(2)29-11-8-18(9-12-29)16-30-23-6-3-19(15-28-23)14-27-21-4-5-22-20(13-21)7-10-26-24(22)25/h3-7,10,13,15,17-18,27H,8-9,11-12,14,16H2,1-2H3,(H2,25,26) RBVSANJGHRPNCU-UHFFFAOYSA-N 652432 6-N-({6-[(1-isopropylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 1012 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652432&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390504 494496584 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377252 CN1CCC(COc2ncc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C21H26N6O/c1-27-8-5-15(6-9-27)14-28-21-25-12-16(13-26-21)11-24-18-2-3-19-17(10-18)4-7-23-20(19)22/h2-4,7,10,12-13,15,24H,5-6,8-9,11,14H2,1H3,(H2,22,23) XEVLXXSTUOLYHZ-UHFFFAOYSA-N 652433 6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-5-yl}methyl)isoquinoline-1,6- diamine::US20240059691, Example 1013 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652433&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362648 494496585 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377253 Nc1nccc2cc(NCc3ccc(OCc4ccncc4)nc3)ccc12 InChI=1S/C21H19N5O/c22-21-19-3-2-18(11-17(19)7-10-24-21)25-12-16-1-4-20(26-13-16)27-14-15-5-8-23-9-6-15/h1-11,13,25H,12,14H2,(H2,22,24) ZHTZBFPCLWXXFT-UHFFFAOYSA-N 652434 6-N-{[6-(pyridin-4-ylmethoxy)pyridin-3-yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1014 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652434&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928493 494496586 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377254 CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1=O InChI=1S/C22H25N5O2/c1-27-9-7-15(10-21(27)28)14-29-20-5-2-16(13-26-20)12-25-18-3-4-19-17(11-18)6-8-24-22(19)23/h2-6,8,11,13,15,25H,7,9-10,12,14H2,1H3,(H2,23,24) IBNYDFLJVSWRJA-UHFFFAOYSA-N 652435 4-{[(5-{[(1-aminoisoquinolin-6-yl)amino]methyl}pyridin-2-yl)oxy]methyl}-1- methylpiperidin-2-one::US20240059691, Example 1015 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652435&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362649 494496587 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377255 Nc1nccc2cc(NCc3ccc(OCC4CCNCC4)nc3)ccc12 InChI=1S/C21H25N5O/c22-21-19-3-2-18(11-17(19)7-10-24-21)25-12-16-1-4-20(26-13-16)27-14-15-5-8-23-9-6-15/h1-4,7,10-11,13,15,23,25H,5-6,8-9,12,14H2,(H2,22,24) VKKMVMGDZKPRBC-UHFFFAOYSA-N 652436 6-N-{[6-(piperidin-4-ylmethoxy)pyridin-3-yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1016 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652436&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928498 494496588 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377256 CC(C)(O)CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C25H33N5O2/c1-25(2,31)17-30-11-8-18(9-12-30)16-32-23-6-3-19(15-29-23)14-28-21-4-5-22-20(13-21)7-10-27-24(22)26/h3-7,10,13,15,18,28,31H,8-9,11-12,14,16-17H2,1-2H3,(H2,26,27) AOJWBZGHZSULRI-UHFFFAOYSA-N 652437 1-(4-{[(5-{[(1-aminoisoquinolin-6-yl)amino]methyl}pyridin-2-yl)oxy]methyl}piperidin-1- yl)-2-methylpropan-2-ol::US20240059691, Example 1017 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652437&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390163 494496589 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377257 CN1CCC(COc2ccc(CCc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C23H28N4O/c1-27-12-9-19(10-13-27)16-28-22-7-5-18(15-26-22)3-2-17-4-6-21-20(14-17)8-11-25-23(21)24/h4-8,11,14-15,19H,2-3,9-10,12-13,16H2,1H3,(H2,24,25) UILMHVXXWMZDSN-UHFFFAOYSA-N 652438 6-(2-{6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}ethyl)isoquinolin-1-amine::US20240059691, Example 1018 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652438&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390505 494496590 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377258 CN1CCC(COc2ccc(CCc3cccc4c(N)nccc34)cn2)CC1 InChI=1S/C23H28N4O/c1-27-13-10-18(11-14-27)16-28-22-8-6-17(15-26-22)5-7-19-3-2-4-21-20(19)9-12-25-23(21)24/h2-4,6,8-9,12,15,18H,5,7,10-11,13-14,16H2,1H3,(H2,24,25) XKTDDALNYPOARH-UHFFFAOYSA-N 652439 5-(2-{6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}ethyl)isoquinolin-1-amine::US20240059691, Example 1019 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652439&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928497 494496591 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377259 CN1CCC(COc2ccc(CNc3cnc4[nH]cc(Cl)c4c3)cn2)CC1 InChI=1S/C20H24ClN5O/c1-26-6-4-14(5-7-26)13-27-19-3-2-15(10-23-19)9-22-16-8-17-18(21)12-25-20(17)24-11-16/h2-3,8,10-12,14,22H,4-7,9,13H2,1H3,(H,24,25) WMRSPOUNCCDVIW-UHFFFAOYSA-N 652440 3-chloro-N-((6-((1-methylpiperidin-4-yl)methoxy)pyridin-3-yl)methyl)-1H-pyrrolo[2,3- b]pyridin-5-amine::US20240059691, Example 1020 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652440&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362650 494496592 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377260 CN1CCC(COc2ccc(CNc3ccc4c(N)ncnc4c3)cn2)CC1 InChI=1S/C21H26N6O/c1-27-8-6-15(7-9-27)13-28-20-5-2-16(12-24-20)11-23-17-3-4-18-19(10-17)25-14-26-21(18)22/h2-5,10,12,14-15,23H,6-9,11,13H2,1H3,(H2,22,25,26) MWKRRXJZGCNJCZ-UHFFFAOYSA-N 652441 7-N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)quinazoline-4,7-diamine::US20240059691, Example 1021 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652441&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390368 494496593 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377261 CN1CCC(COc2ccc(CNc3cccc4c(N)ncnc34)cn2)CC1 InChI=1S/C21H26N6O/c1-27-9-7-15(8-10-27)13-28-19-6-5-16(12-24-19)11-23-18-4-2-3-17-20(18)25-14-26-21(17)22/h2-6,12,14-15,23H,7-11,13H2,1H3,(H2,22,25,26) YQXLCAVXYGLNEY-UHFFFAOYSA-N 652442 N8-[[6-[(1-methyl-4-piperidyl)methoxy]-3-pyridyl]methyl]quinazoline-4,8-diamine::US20240059691, Example 1022 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652442&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928427 494496594 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377262 Nc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C23H24N6O/c24-23-20-3-2-19(12-18(20)5-7-26-23)27-13-17-1-4-22(28-14-17)30-15-16-6-9-29-10-8-25-21(29)11-16/h1-5,7-8,10,12,14,16,27H,6,9,11,13,15H2,(H2,24,26) CKNZDXKTBCVSIY-UHFFFAOYSA-N 652426 6-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1006::US20240059691, Example 1023::US20240059691, Example 1024 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390232 494496578 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377263 Nc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C23H24N6O/c24-23-20-3-2-19(12-18(20)5-7-26-23)27-13-17-1-4-22(28-14-17)30-15-16-6-9-29-10-8-25-21(29)11-16/h1-5,7-8,10,12,14,16,27H,6,9,11,13,15H2,(H2,24,26) CKNZDXKTBCVSIY-UHFFFAOYSA-N 652426 6-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1006::US20240059691, Example 1023::US20240059691, Example 1024 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652426&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390232 494496578 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377264 Cn1ccnc1CCCOc1ccc(CNc2ccc3c(N)nccc3c2)cn1 InChI=1S/C22H24N6O/c1-28-11-10-24-20(28)3-2-12-29-21-7-4-16(15-27-21)14-26-18-5-6-19-17(13-18)8-9-25-22(19)23/h4-11,13,15,26H,2-3,12,14H2,1H3,(H2,23,25) VFHUYDMXHGWRHP-UHFFFAOYSA-N 652445 6-N-({6-[3-(1-methylimidazol-2-yl)propoxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1025 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652445&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928413 494496595 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377265 CN1CCC(COc2ccc(CNc3ccc4cncc(CO)c4c3)cn2)CC1 InChI=1S/C23H28N4O2/c1-27-8-6-17(7-9-27)16-29-23-5-2-18(12-26-23)11-25-21-4-3-19-13-24-14-20(15-28)22(19)10-21/h2-5,10,12-14,17,25,28H,6-9,11,15-16H2,1H3 IOHSRLBIWRWOHI-UHFFFAOYSA-N 652446 US20240059691, Example 1026::{6-[({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)amino]isoquinolin-4- yl}methanol Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652446&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390437 494496596 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377266 COc1nc(OCC2CCN(C)CC2)ccc1CNc1ccc2c(N)nccc2c1 InChI=1S/C23H29N5O2/c1-28-11-8-16(9-12-28)15-30-21-6-3-18(23(27-21)29-2)14-26-19-4-5-20-17(13-19)7-10-25-22(20)24/h3-7,10,13,16,26H,8-9,11-12,14-15H2,1-2H3,(H2,24,25) DUIWPUICWUPZLF-UHFFFAOYSA-N 652447 6-N-({2-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-yl}methyl)isoquinoline- 1,6-diamine::US20240059691, Example 1027 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652447&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390270 494496597 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377267 Nc1nccc2cc(NCc3ccc(OCC4CCn5cc(nc5C4)C(F)(F)F)nc3)ccc12 InChI=1S/C24H23F3N6O/c25-24(26,27)20-13-33-8-6-15(9-21(33)32-20)14-34-22-4-1-16(12-31-22)11-30-18-2-3-19-17(10-18)5-7-29-23(19)28/h1-5,7,10,12-13,15,30H,6,8-9,11,14H2,(H2,28,29) PXSYVGNIQPEKEG-UHFFFAOYSA-N 652448 6-N-[(6-{[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yl]methoxy}pyridin- 3-yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1028 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652448&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390188 494496598 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377268 Nc1nccc2c(NCc3ccc(OCC4CCn5ccnc5C4)nc3)cccc12 InChI=1S/C23H24N6O/c24-23-19-2-1-3-20(18(19)6-8-26-23)27-13-17-4-5-22(28-14-17)30-15-16-7-10-29-11-9-25-21(29)12-16/h1-6,8-9,11,14,16,27H,7,10,12-13,15H2,(H2,24,26) QSELANVBWNKHHL-UHFFFAOYSA-N 652449 N5-((6-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1029::US20240059691, Example 1030 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390440 494496599 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377269 Nc1nccc2c(NCc3ccc(OCC4CCn5ccnc5C4)nc3)cccc12 InChI=1S/C23H24N6O/c24-23-19-2-1-3-20(18(19)6-8-26-23)27-13-17-4-5-22(28-14-17)30-15-16-7-10-29-11-9-25-21(29)12-16/h1-6,8-9,11,14,16,27H,7,10,12-13,15H2,(H2,24,26) QSELANVBWNKHHL-UHFFFAOYSA-N 652449 N5-((6-((5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methoxy)pyridin-3-yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1029::US20240059691, Example 1030 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652449&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390440 494496599 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377270 Nc1nccc2cc(NCc3ccc(OCCCn4ccnc4)nc3)ccc12 InChI=1S/C21H22N6O/c22-21-19-4-3-18(12-17(19)6-7-24-21)25-13-16-2-5-20(26-14-16)28-11-1-9-27-10-8-23-15-27/h2-8,10,12,14-15,25H,1,9,11,13H2,(H2,22,24) ODERHBIXDZNQHO-UHFFFAOYSA-N 652451 6-N-({6-[3-(imidazol-1-yl)propoxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1031 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652451&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928404 494496600 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377271 CN1CCC(CCOc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C23H29N5O/c1-28-11-7-17(8-12-28)9-13-29-22-5-2-18(16-27-22)15-26-20-3-4-21-19(14-20)6-10-25-23(21)24/h2-6,10,14,16-17,26H,7-9,11-13,15H2,1H3,(H2,24,25) INBMTHPUGULQOG-UHFFFAOYSA-N 652452 6-N-({6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-yl}methyl)isoquinoline-1,6-diamine::US20240059691, Example 1032 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652452&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928395 494496601 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377272 CN1CCC(CNc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 InChI=1S/C22H28N6/c1-28-10-7-16(8-11-28)13-26-21-5-2-17(15-27-21)14-25-19-3-4-20-18(12-19)6-9-24-22(20)23/h2-6,9,12,15-16,25H,7-8,10-11,13-14H2,1H3,(H2,23,24)(H,26,27) HSNORKMSWCSMOD-UHFFFAOYSA-N 652453 N6-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinoline-1,6- diamine::US20240059691, Example 1033 Coagulation factor XII 55 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652453&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390486 494496602 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377273 Nc1nccc2c(NCc3ccc(CN4CCOCC4)cc3F)cccc12 InChI=1S/C21H23FN4O/c22-19-12-15(14-26-8-10-27-11-9-26)4-5-16(19)13-25-20-3-1-2-18-17(20)6-7-24-21(18)23/h1-7,12,25H,8-11,13-14H2,(H2,23,24) ABVVTLDDAJPMKZ-UHFFFAOYSA-N 652454 5-N-{[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methyl}isoquinoline-1,5-diamine::US20240059691, Example 1034 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652454&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928485 494496603 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377274 Cn1ccnc1CCCOc1ncc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C21H23N7O/c1-28-10-9-23-19(28)6-3-11-29-21-26-13-15(14-27-21)12-25-18-5-2-4-17-16(18)7-8-24-20(17)22/h2,4-5,7-10,13-14,25H,3,6,11-12H2,1H3,(H2,22,24) RGZWSMZUUVHSMD-UHFFFAOYSA-N 652455 N5-((2-(3-(1-methyl-1H-imidazol-2-yl)propoxy)pyrimidin-5-yl)methyl)isoquinoline-1,5- diamine::US20240059691, Example 1035 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652455&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362651 494496604 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377275 CC(C)N1CC2(CN(Cc3ccc(CNc4cccc5c(N)nccc45)c(F)c3)C2)C1 InChI=1S/C25H30FN5/c1-17(2)31-15-25(16-31)13-30(14-25)12-18-6-7-19(22(26)10-18)11-29-23-5-3-4-21-20(23)8-9-28-24(21)27/h3-10,17,29H,11-16H2,1-2H3,(H2,27,28) XEJIXVCRPCLTGX-UHFFFAOYSA-N 652456 N5-(2-fluoro-4-((6-isopropyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl)benzyl)isoquinoline- 1,5-diamine::US20240059691, Example 1036 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652456&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362652 494496605 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377276 CC(C)N1CC2(CN(Cc3ccc(CNc4ccc5c(N)nccc5c4)c(F)c3)C2)C1 InChI=1S/C25H30FN5/c1-17(2)31-15-25(16-31)13-30(14-25)12-18-3-4-20(23(26)9-18)11-29-21-5-6-22-19(10-21)7-8-28-24(22)27/h3-10,17,29H,11-16H2,1-2H3,(H2,27,28) IVQXOYFHEXATGH-UHFFFAOYSA-N 652457 6-N-{[2-fluoro-4-({6-isopropyl-2,6-diazaspiro[3.3]heptan-2- yl}methyl)phenyl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1037 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652457&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362653 494496606 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377277 Cn1ccnc1CCCNc1ncc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1 InChI=1S/C21H23ClN8/c1-30-8-7-24-19(30)3-2-6-25-21-28-11-14(12-29-21)10-26-15-4-5-16-17(9-15)18(22)13-27-20(16)23/h4-5,7-9,11-13,26H,2-3,6,10H2,1H3,(H2,23,27)(H,25,28,29) FYYSNZXHRLKRRU-UHFFFAOYSA-N 652458 4-chloro-6-N-[(2-{[3-(1-methylimidazol-2-yl)propyl]amino}pyrimidin-5- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1038 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652458&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362654 494496607 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377278 Nc1nccc2c(NCc3cnc(NCCC(=O)N4CCCC4)nc3)cccc12 InChI=1S/C21H25N7O/c22-20-17-4-3-5-18(16(17)6-8-23-20)25-12-15-13-26-21(27-14-15)24-9-7-19(29)28-10-1-2-11-28/h3-6,8,13-14,25H,1-2,7,9-12H2,(H2,22,23)(H,24,26,27) LQPBUGNVRFSDSO-UHFFFAOYSA-N 652459 3-[(5-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyrimidin-2-yl)amino]-1-(pyrrolidin-1- yl)propan-1-one::US20240059691, Example 1039 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652459&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362655 494496608 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377279 Nc1ncc(Cl)c2cc(NCc3cnc(NCCC(=O)N4CCCC4)nc3)ccc12 InChI=1S/C21H24ClN7O/c22-18-13-26-20(23)16-4-3-15(9-17(16)18)25-10-14-11-27-21(28-12-14)24-6-5-19(30)29-7-1-2-8-29/h3-4,9,11-13,25H,1-2,5-8,10H2,(H2,23,26)(H,24,27,28) HCXAXUJNHUHROI-UHFFFAOYSA-N 652460 3-[(5-{[(1-amino-4-chloroisoquinolin-6-yl)amino]methyl}pyrimidin-2-yl)amino]-1- (pyrrolidin-1-yl)propan-1-one::US20240059691, Example 1040 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652460&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362656 494496609 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377280 Nc1ncc(Cl)c2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C23H23ClN6O/c24-20-13-29-23(25)18-3-2-17(10-19(18)20)27-11-16-1-4-22(28-12-16)31-14-15-5-7-30-8-6-26-21(30)9-15/h1-4,6,8,10,12-13,15,27H,5,7,9,11,14H2,(H2,25,29) GYOYNEHABNQVKB-UHFFFAOYSA-N 652461 4-chloro-6-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1041 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652461&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390489 494496610 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377281 Nc1nccc2c(NCc3cnc(OCC4CCn5ccnc5C4)nc3)cccc12 InChI=1S/C22H23N7O/c23-21-18-2-1-3-19(17(18)4-6-25-21)26-11-16-12-27-22(28-13-16)30-14-15-5-8-29-9-7-24-20(29)10-15/h1-4,6-7,9,12-13,15,26H,5,8,10-11,14H2,(H2,23,25) MAMDUCKALBRXSZ-UHFFFAOYSA-N 652462 5-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyrimidin-5- yl)methyl]isoquinoline-1,5-diamine::US20240059691, Example 1042 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652462&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362657 494496611 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377282 Nc1ncc(Cl)c2cc(NCc3cnc(NCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C22H23ClN8/c23-19-13-27-21(24)17-2-1-16(8-18(17)19)26-10-15-11-29-22(30-12-15)28-9-14-3-5-31-6-4-25-20(31)7-14/h1-2,4,6,8,11-14,26H,3,5,7,9-10H2,(H2,24,27)(H,28,29,30) YFZZZDLTOGMQRM-UHFFFAOYSA-N 652463 4-chloro-6-N-{[2-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethyl}amino)pyrimidin-5- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1043 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652463&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362658 494496612 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377283 Nc1ncc(Cl)c2cc(NCc3ccc(NCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C23H24ClN7/c24-20-14-30-23(25)18-3-2-17(10-19(18)20)27-12-16-1-4-21(29-13-16)28-11-15-5-7-31-8-6-26-22(31)9-15/h1-4,6,8,10,13-15,27H,5,7,9,11-12H2,(H2,25,30)(H,28,29) HNVSWPCXRZMYHN-UHFFFAOYSA-N 652464 4-chloro-6-N-{[6-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethyl}amino)pyridin-3- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1044 Coagulation factor XII 200 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652464&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390515 494496613 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377284 Nc1nccc2c(NCc3ccc(OC4CCn5ccnc5C4)nc3)cccc12 InChI=1S/C22H22N6O/c23-22-18-2-1-3-19(17(18)6-8-25-22)26-13-15-4-5-21(27-14-15)29-16-7-10-28-11-9-24-20(28)12-16/h1-6,8-9,11,14,16,26H,7,10,12-13H2,(H2,23,25) WZFGKOMTANPZBQ-UHFFFAOYSA-N 652465 5-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yloxy}pyridin-3-yl)methyl]isoquinoline- 1,5-diamine::US20240059691, Example 1049 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652465&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390192 494496614 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377285 Nc1ncc(Cl)c2cc(NCc3ccc(OC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C22H21ClN6O/c23-19-13-28-22(24)17-3-2-15(9-18(17)19)26-11-14-1-4-21(27-12-14)30-16-5-7-29-8-6-25-20(29)10-16/h1-4,6,8-9,12-13,16,26H,5,7,10-11H2,(H2,24,28) WEJGUKCOAPTWKH-UHFFFAOYSA-N 652466 4-chloro-6-N-[(6-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-yloxy}pyridin-3- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1050 Coagulation factor XII 2000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652466&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362659 494496615 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377286 Nc1ncc(Cl)c2cc(NCc3cnc(OCC4CCn5ccnc5C4)nc3)ccc12 InChI=1S/C22H22ClN7O/c23-19-12-27-21(24)17-2-1-16(8-18(17)19)26-9-15-10-28-22(29-11-15)31-13-14-3-5-30-6-4-25-20(30)7-14/h1-2,4,6,8,10-12,14,26H,3,5,7,9,13H2,(H2,24,27) RRDABEWIPOYJNA-UHFFFAOYSA-N 652467 4-chloro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmethoxy}pyrimidin-5- yl)methyl]isoquinoline-1,6-diamine::US20240059691, Example 1052 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652467&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 163390364 494496616 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377287 CN1CCC(CNc2ccc(CNc3ccnc(N)c3)cn2)CC1 InChI=1S/C18H26N6/c1-24-8-5-14(6-9-24)11-22-18-3-2-15(13-23-18)12-21-16-4-7-20-17(19)10-16/h2-4,7,10,13-14H,5-6,8-9,11-12H2,1H3,(H,22,23)(H3,19,20,21) QKQCKOXDCZGXQL-UHFFFAOYSA-N 652468 N4-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)pyridine-2,4-diamine::US20240059691, Example 1096 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652468&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 170928464 494496617 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377288 CN1CCC(CNc2ccc(CNc3cc(C)c4cnccc4c3)cn2)CC1 InChI=1S/C23H29N5/c1-17-11-21(12-20-5-8-24-16-22(17)20)25-14-19-3-4-23(27-15-19)26-13-18-6-9-28(2)10-7-18/h3-5,8,11-12,15-16,18,25H,6-7,9-10,13-14H2,1-2H3,(H,26,27) ILUPZBBEIXEYJU-UHFFFAOYSA-N 652469 8-methyl-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1102 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652469&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362660 494496618 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377289 COc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)cc2ccncc12 InChI=1S/C23H29N5O/c1-28-9-6-17(7-10-28)13-26-23-4-3-18(15-27-23)14-25-20-11-19-5-8-24-16-21(19)22(12-20)29-2/h3-5,8,11-12,15-17,25H,6-7,9-10,13-14H2,1-2H3,(H,26,27) JDUYWQCNVTWRCC-UHFFFAOYSA-N 652470 8-methoxy-N-((6-(((1-methylpiperidin-4-yl)methyl)amino)pyridin-3-yl)methyl)isoquinolin- 6-amine::US20240059691, Example 1103 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652470&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362661 494496619 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377290 Cc1n[nH]c2C(CCc12)Nc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1 652471 4-chloro-6-N-{[6-({3-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-6-yl}amino)pyridin-3- yl]methyl}isoquinoline-1,6-diamine::US20240059691, Example 1118 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652471&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362662 494496620 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377291 Cc1n[nH]c2C(CCc12)Nc1ccc(CNc2cccc3c(N)nccc23)cn1 652472 N5-((6-((3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)amino)pyridin-3- yl)methyl)isoquinoline-1,5-diamine::US20240059691, Example 1119 Coagulation factor XII 25000 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652472&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362663 494496621 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377292 Nc1nccc2c(NCc3ccc(nc3)N3CCn4ccnc4C3)cccc12 InChI=1S/C21H21N7/c22-21-17-2-1-3-18(16(17)6-7-24-21)25-12-15-4-5-19(26-13-15)28-11-10-27-9-8-23-20(27)14-28/h1-9,13,25H,10-12,14H2,(H2,22,24) YCUHYXGBQOXOJG-UHFFFAOYSA-N 652473 5-N-[(6-{5H,6H,8H-imidazo[1,2-a]piperazin-7-yl}pyridin-3-yl)methyl]isoquinoline-1,5- diamine::US20240059691, Example 1128 Coagulation factor XII 650 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652473&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362664 494496622 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377293 Nc1ncc(Cl)c2cc(NCc3ccc(nc3)N3CCn4ccnc4C3)ccc12 InChI=1S/C21H20ClN7/c22-18-12-27-21(23)16-3-2-15(9-17(16)18)25-10-14-1-4-19(26-11-14)29-8-7-28-6-5-24-20(28)13-29/h1-6,9,11-12,25H,7-8,10,13H2,(H2,23,27) QMDJPULBAHNRPP-UHFFFAOYSA-N 652474 4-chloro-6-N-[(6-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}pyridin-3-yl)methyl]isoquinoline- 1,6-diamine::US20240059691, Example 1129 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652474&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362665 494496623 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 1377294 CC(C)(O)[C@@H]1CCN(C1)c1ccc(CNc2cccc3c(N)nccc23)cn1 InChI=1S/C22H27N5O/c1-22(2,28)16-9-11-27(14-16)20-7-6-15(13-26-20)12-25-19-5-3-4-18-17(19)8-10-24-21(18)23/h3-8,10,13,16,25,28H,9,11-12,14H2,1-2H3,(H2,23,24)/t16-/m1/s1 RVZMGIRXGXNIQX-MRXNPFEDSA-N 652475 (R)-2-(1-(5-(((1-aminoisoquinolin-5-yl)amino)methyl)pyridin-2- yl)pyrrolidin-3-yl)propan-2-ol::US20240059691, Example 1130 Coagulation factor XII 6500 US Patent 10.7270/Q2NG4VVD US20240059691 CHILDS, ML; DAVIE, RL; EDWARDS, HJ; EVANS, DM; GREVES, WJ; HODGSON, ST; MAZZACANI, A; NORTH, CL; OBARA, AS; ROE, MB; ROOKER, DP; STOCKS, MJ; BIRCH, LM; PICHOWICZ, M; PITTAWAY, R; SMITH, AJ; THROUP, AE; WRIGGLESWORTH, JW; YANG, X; CLARK, DE Kalvista Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652475&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 171362666 494496624 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 4XDE,4XE4,6B74,6B77,6GT6,6L63,6SZW,6X0S,6X0T,7FBP,7PRJ,7PRK,8R8D Coagulation factor XII FA12_HUMAN P00748 P78339 51544677 Nc1nccc2cc(ccc12)-c1cccc(c1)B(O)O InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18) CCUGLTODPQTEBR-UHFFFAOYSA-N 50621294 CHEMBL5425528 Coagulation factor XII Homo sapiens 190 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621294&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search CWV 6B77 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544702 Cl.CC1(C)OB(OC1(C)C)C(N)c1cccc(Cl)c1 InChI=1S/C13H19BClNO2.ClH/c1-12(2)13(3,4)18-14(17-12)11(16)9-6-5-7-10(15)8-9;/h5-8,11H,16H2,1-4H3;1H PZFHFPLIZUGLNF-UHFFFAOYSA-N 50621295 CHEMBL5409864 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621295&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544703 CC1(C)OB(OC1(C)C)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1 InChI=1S/C24H27BClN3O3/c1-23(2)24(3,4)32-25(31-23)21(18-11-8-12-20(26)13-18)28-22(30)19-14-27-29(16-19)15-17-9-6-5-7-10-17/h5-14,16,21H,15H2,1-4H3,(H,28,30) VRPVNXMPAVISSZ-UHFFFAOYSA-N 50621296 CHEMBL5397200 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621296&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544704 Cc1ccc(C(NC(=O)c2cnn(Cc3ccccc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1 InChI=1S/C25H29BFN3O3/c1-17-11-12-20(21(27)13-17)22(26-32-24(2,3)25(4,5)33-26)29-23(31)19-14-28-30(16-19)15-18-9-7-6-8-10-18/h6-14,16,22H,15H2,1-5H3,(H,29,31) FOOYQBFAGIVGFV-UHFFFAOYSA-N 50621297 CHEMBL5427122 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621297&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544705 OB(O)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1 InChI=1S/C18H17BClN3O3/c20-16-8-4-7-14(9-16)17(19(25)26)22-18(24)15-10-21-23(12-15)11-13-5-2-1-3-6-13/h1-10,12,17,25-26H,11H2,(H,22,24) ZXWADSDWEAQLAR-UHFFFAOYSA-N 50621298 CHEMBL5414831 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621298&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544706 Cl.CC1(C)OB(OC1(C)C)C(N)c1cccc(Cl)c1 InChI=1S/C13H19BClNO2.ClH/c1-12(2)13(3,4)18-14(17-12)11(16)9-6-5-7-10(15)8-9;/h5-8,11H,16H2,1-4H3;1H PZFHFPLIZUGLNF-UHFFFAOYSA-N 50621295 CHEMBL5409864 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621295&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544707 CC1(C)OB(OC1(C)C)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1 InChI=1S/C24H27BClN3O3/c1-23(2)24(3,4)32-25(31-23)21(18-11-8-12-20(26)13-18)28-22(30)19-14-27-29(16-19)15-17-9-6-5-7-10-17/h5-14,16,21H,15H2,1-4H3,(H,28,30) VRPVNXMPAVISSZ-UHFFFAOYSA-N 50621296 CHEMBL5397200 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621296&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544708 Cc1ccc(C(NC(=O)c2cnn(Cc3ccccc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1 InChI=1S/C25H29BFN3O3/c1-17-11-12-20(21(27)13-17)22(26-32-24(2,3)25(4,5)33-26)29-23(31)19-14-28-30(16-19)15-18-9-7-6-8-10-18/h6-14,16,22H,15H2,1-5H3,(H,29,31) FOOYQBFAGIVGFV-UHFFFAOYSA-N 50621297 CHEMBL5427122 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621297&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51544709 OB(O)C(NC(=O)c1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1 InChI=1S/C18H17BClN3O3/c20-16-8-4-7-14(9-16)17(19(25)26)22-18(24)15-10-21-23(12-15)11-13-5-2-1-3-6-13/h1-10,12,17,25-26H,11H2,(H,22,24) ZXWADSDWEAQLAR-UHFFFAOYSA-N 50621298 CHEMBL5414831 Coagulation factor XII Homo sapiens >400000 ChEMBL 10.1021/acsmedchemlett.3c00572 10.7270/Q2RR23NJ 38628785 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621298&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51545800 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OS([O-])(=O)=O)cc(c1)C(=O)O[C@H]1[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H]1OC(=O)c1cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c1 InChI=1S/C48H36O60S12.12Na/c49-43(19-1-25(97-109(55,56)57)13-26(2-19)98-110(58,59)60)91-37-38(92-44(50)20-3-27(99-111(61,62)63)14-28(4-20)100-112(64,65)66)40(94-46(52)22-7-31(103-115(73,74)75)16-32(8-22)104-116(76,77)78)42(96-48(54)24-11-35(107-119(85,86)87)18-36(12-24)108-120(88,89)90)41(95-47(53)23-9-33(105-117(79,80)81)17-34(10-23)106-118(82,83)84)39(37)93-45(51)21-5-29(101-113(67,68)69)15-30(6-21)102-114(70,71)72;;;;;;;;;;;;/h1-18,37-42H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;;;;;;;/q;12*+1/p-12/t37-,38-,39-,40-,41+,42+;;;;;;;;;;;;/m0............/s1 POUVKZOIXCLAAG-IHTYRUMXSA-B 50621710 CHEMBL5415411 Coagulation factor XII Homo sapiens >40000 ChEMBL 10.1021/acs.jmedchem.2c02130 10.7270/Q2CC1525 37037122 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621710&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51553562 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccccn1 InChI=1S/C21H17ClN4O2S/c1-28-18-8-3-2-6-15(18)21(27)26-20(24-13-14-9-10-19(22)29-14)12-17(25-26)16-7-4-5-11-23-16/h2-12,24H,13H2,1H3 CPBDFCXKCBYWQN-UHFFFAOYSA-N 163407 US9687479, 278 1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine::US9687479, 285 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-1H-pyrazol-5-amine Coagulation factor XII Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2022.114855 10.7270/Q22V2MJ7 36462436 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=163407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=163407&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 133081351 363890803 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339 51553563 CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccc[nH]c1=O InChI=1S/C18H19ClN4O2S/c1-18(2,3)17(25)23-15(21-10-11-6-7-14(19)26-11)9-13(22-23)12-5-4-8-20-16(12)24/h4-9,21H,10H2,1-3H3,(H,20,24) IELDEMOVCFANHT-UHFFFAOYSA-N 162366 BDBM162611::US9687479, 3 3-(5-[(5-chlorothiophen-2-yl)methyl]amino-1-(2,2-dimethylpropanoyl)-1H-pyrazol-3-yl)-1,2-dihydropyridin-2-one Coagulation factor XII Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2022.114855 10.7270/Q22V2MJ7 36462436 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=162366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8446&target=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=162366&enzyme=Coagulation+factor+XII&column=ki&startPg=0&Increment=50&submit=Search 133081096 363890530 1 MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS 6X0T,6X0S,6L63,6B77,6B74,6GT6,8R8D,4XDE,4XE4,7FBP,7PRK,7PRJ,6SZW Coagulation factor XII FA12_HUMAN P00748 P78339