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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'al-dabbagh' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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49n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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49n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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247n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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247n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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698n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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698n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plot


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343932
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C28H48N4O11/c1-2-3-4-5-6-7-8-9-10-11-13-30-18(26(38)39)23(43-27-22(37)19(34)16(15-29)41-27)24-20(35)21(36)25(42-24)32-14-12-17(33)31-28(32)40/h12,14,16,18-25,27,30,34-37H,2-11,13,15,29H2,1H3,(H,38,39)(H,31,33,40)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318258
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCCCCCNC(=O)[C@@H](N)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C28H49N5O10/c1-2-3-4-5-6-7-8-9-10-11-13-31-25(39)18(30)23(43-27-22(38)19(35)16(15-29)41-27)24-20(36)21(37)26(42-24)33-14-12-17(34)32-28(33)40/h12,14,16,18-24,26-27,35-38H,2-11,13,15,29-30H2,1H3,(H,31,39)(H,32,34,40)/t16-,18+,19-,20+,21-,22-,23+,24+,26-,27+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318262
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCNC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C29H49N5O12/c1-2-3-4-5-6-7-8-9-10-11-13-31-28(42)33-18(26(40)41)23(46-27-22(39)19(36)16(15-30)44-27)24-20(37)21(38)25(45-24)34-14-12-17(35)32-29(34)43/h12,14,16,18-25,27,36-39H,2-11,13,15,30H2,1H3,(H,40,41)(H2,31,33,42)(H,32,35,43)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318259
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C30H45N5O10/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-27(41)20(32)25(45-29-24(40)21(37)18(15-31)43-29)26-22(38)23(39)28(44-26)35-14-13-19(36)34-30(35)42/h9-14,18,20-26,28-29,37-40H,2-8,15,31-32H2,1H3,(H,33,41)(H,34,36,42)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318260
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C28H46N4O12/c1-2-3-4-5-6-7-8-9-10-11-16(33)30-18(26(39)40)23(44-27-22(38)19(35)15(14-29)42-27)24-20(36)21(37)25(43-24)32-13-12-17(34)31-28(32)41/h12-13,15,18-25,27,35-38H,2-11,14,29H2,1H3,(H,30,33)(H,39,40)(H,31,34,41)/t15-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318263
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(NC(=O)N[C@@H]([C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)C(O)=O)cc1
Show InChI InChI=1S/C31H45N5O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-30(44)35-20(28(42)43)25(48-29-24(41)21(38)18(15-32)46-29)26-22(39)23(40)27(47-26)36-14-13-19(37)34-31(36)45/h9-14,18,20-27,29,38-41H,2-8,15,32H2,1H3,(H,42,43)(H2,33,35,44)(H,34,37,45)/t18-,20+,21-,22+,23-,24-,25+,26-,27-,29+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342781
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C53H83N5O10Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-31-47(60)67-45-37-58(34-26-19-25-33-57-35-32-46(59)56-52(57)64)43(39-65-51-49(62)48(61)44(36-54)68-51)50(63)55-42(45)38-66-69(53(2,3)4,40-27-20-17-21-28-40)41-29-22-18-23-30-41/h17-18,20-23,27-30,32,35,42-45,48-49,51,61-62H,5-16,19,24-26,31,33-34,36-39,54H2,1-4H3,(H,55,63)(H,56,59,64)/t42-,43+,44-,45+,48-,49-,51-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342779
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN=[N+]=[N-])[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C58H89N7O10Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-28-35-51(67)72-49-41-65(38-30-23-29-37-64-39-36-50(66)62-56(64)69)47(43-70-55-53-52(48(73-55)40-60-63-59)74-58(8-2,9-3)75-53)54(68)61-46(49)42-71-76(57(4,5)6,44-31-24-21-25-32-44)45-33-26-22-27-34-45/h21-22,24-27,31-34,36,39,46-49,52-53,55H,7-20,23,28-30,35,37-38,40-43H2,1-6H3,(H,61,68)(H,62,66,69)/t46-,47+,48-,49+,52-,53-,55-/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342782
PNG
((3S,6S,7R)-3-(5-Amino-5-deoxy-beta-D-ribos-1-yl-me...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO
Show InChI InChI=1S/C37H65N5O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-32(45)51-30-24-42(21-17-14-16-20-41-22-19-31(44)40-37(41)49)28(35(48)39-27(30)25-43)26-50-36-34(47)33(46)29(23-38)52-36/h19,22,27-30,33-34,36,43,46-47H,2-18,20-21,23-26,38H2,1H3,(H,39,48)(H,40,44,49)/t27-,28+,29-,30+,33-,34-,36-/m1/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318261
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C31H44N4O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)27(41)34-20(29(42)43)25(47-30-24(40)21(37)18(15-32)45-30)26-22(38)23(39)28(46-26)35-14-13-19(36)33-31(35)44/h9-14,18,20-26,28,30,37-40H,2-8,15,32H2,1H3,(H,34,41)(H,42,43)(H,33,36,44)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,30+/m1/s1
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n/an/a 2.56E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342778
PNG
((3S,6S,7R)-3,7-Dihydroxymethyl-6-palmitoyloxy-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO
Show InChI InChI=1S/C32H56N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-30(40)43-28-23-36(27(25-38)31(41)33-26(28)24-37)21-17-14-16-20-35-22-19-29(39)34-32(35)42/h19,22,26-28,37-38H,2-18,20-21,23-25H2,1H3,(H,33,41)(H,34,39,42)/t26-,27+,28+/m1/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342784
PNG
((3S,6S,7R)-3,7-Di-(5-amino-5-deoxy-2,3-O-isopentyl...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN)[C@H]2OC(CC)(CC)O[C@@H]12
Show InChI InChI=1S/C52H90N6O13/c1-6-11-12-13-14-15-16-17-18-19-20-21-23-26-42(60)65-40-33-58(29-25-22-24-28-57-30-27-41(59)56-50(57)62)37(35-64-49-46-44(39(32-54)67-49)69-52(9-4,10-5)71-46)47(61)55-36(40)34-63-48-45-43(38(31-53)66-48)68-51(7-2,8-3)70-45/h27,30,36-40,43-46,48-49H,6-26,28-29,31-35,53-54H2,1-5H3,(H,55,61)(H,56,59,62)/t36-,37+,38-,39-,40+,43-,44-,45-,46-,48-,49-/m1/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318254
PNG
((2R,4S,5S)-2-Aminopropyl-5-[(1R,2R,3R,4R)-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O
Show InChI InChI=1S/C31H52N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(37)35-23(17-15-19-32)43-27(24(35)30(40)41)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)42/h18,20,23-29,38-39H,2-17,19,32H2,1H3,(H,40,41)(H,33,36,42)/t23-,24+,25+,26-,27+,28+,29-/m1/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342790
PNG
((3S,6S,7R)-7-(tert-Butyldiphenylsilyloxymethyl)-3-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C48H74N4O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-31-45(55)59-43-36-52(34-26-19-25-33-51-35-32-44(54)50-47(51)57)42(37-53)46(56)49-41(43)38-58-60(48(2,3)4,39-27-20-17-21-28-39)40-29-22-18-23-30-40/h17-18,20-23,27-30,32,35,41-43,53H,5-16,19,24-26,31,33-34,36-38H2,1-4H3,(H,49,56)(H,50,54,57)/t41-,42+,43+/m1/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342783
PNG
((3S,6S,7R)-3,7-Di-(5-azido-5-deoxy-2,3-O-isopentyl...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN=[N+]=[N-])[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H]2OC(CC)(CC)O[C@@H]12
Show InChI InChI=1S/C52H86N10O13/c1-6-11-12-13-14-15-16-17-18-19-20-21-23-26-42(64)69-40-33-62(29-25-22-24-28-61-30-27-41(63)58-50(61)66)37(35-68-49-46-44(39(71-49)32-56-60-54)73-52(9-4,10-5)75-46)47(65)57-36(40)34-67-48-45-43(38(70-48)31-55-59-53)72-51(7-2,8-3)74-45/h27,30,36-40,43-46,48-49H,6-26,28-29,31-35H2,1-5H3,(H,57,65)(H,58,63,66)/t36-,37+,38-,39-,40+,43-,44-,45-,46-,48-,49-/m1/s1
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n/an/a 4.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318253
PNG
((2R,4S,5S)-2-Aminoethyl-5-[(1R,2R,3R,4R)-2,3-dihyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O
Show InChI InChI=1S/C30H50N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(36)34-22(16-18-31)42-26(23(34)29(39)40)27-24(37)25(38)28(43-27)33-19-17-20(35)32-30(33)41/h17,19,22-28,37-38H,2-16,18,31H2,1H3,(H,39,40)(H,32,35,41)/t22-,23+,24+,25-,26+,27+,28-/m1/s1
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n/an/a 4.51E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50321251
PNG
(2,5-Anhydro-1-deoxy-1-(uracil-1'-yl)-6-(5''-amino-...)
Show SMILES NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Cn3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N3O9/c16-3-6-10(20)13(23)14(27-6)25-5-8-12(22)11(21)7(26-8)4-18-2-1-9(19)17-15(18)24/h1-2,6-8,10-14,20-23H,3-5,16H2,(H,17,19,24)/t6-,7+,8-,10-,11-,12-,13-,14-/m1/s1
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n/an/a 5.80E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis transferase MraY after 30 mins


Bioorg Med Chem 18: 4560-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.023
BindingDB Entry DOI: 10.7270/Q26W9B74
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50321253
PNG
(2,5-Anhydro-3,4-dihydroxy-1-deoxy-1-(uracil-1'-yl)...)
Show SMILES NCc1cn(C[C@H]2O[C@@H](OC[C@H]3O[C@@H](Cn4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C18H26N6O9/c19-3-8-4-24(22-21-8)6-10-14(27)16(29)17(33-10)31-7-11-15(28)13(26)9(32-11)5-23-2-1-12(25)20-18(23)30/h1-2,4,9-11,13-17,26-29H,3,5-7,19H2,(H,20,25,30)/t9-,10+,11+,13+,14+,15+,16+,17+/m0/s1
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n/an/a 5.95E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis transferase MraY after 30 mins


Bioorg Med Chem 18: 4560-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.023
BindingDB Entry DOI: 10.7270/Q26W9B74
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50321255
PNG
(2,5-Anhydro-3,4-dihydroxy-1-deoxy-1-(uracil-1'-yl)...)
Show SMILES NC(N)=NCc1cn(C[C@H]2O[C@@H](OC[C@H]3O[C@@H](Cn4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C19H28N8O9/c20-18(21)22-3-8-4-27(25-24-8)6-10-14(30)16(32)17(36-10)34-7-11-15(31)13(29)9(35-11)5-26-2-1-12(28)23-19(26)33/h1-2,4,9-11,13-17,29-32H,3,5-7H2,(H4,20,21,22)(H,23,28,33)/t9-,10+,11+,13+,14+,15+,16+,17+/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis transferase MraY after 30 mins


Bioorg Med Chem 18: 4560-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.023
BindingDB Entry DOI: 10.7270/Q26W9B74
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342780
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C58H91N5O10Si/c1-7-10-11-12-13-14-15-16-17-18-19-20-28-35-51(65)70-49-41-63(38-30-23-29-37-62-39-36-50(64)61-56(62)67)47(43-68-55-53-52(48(40-59)71-55)72-58(8-2,9-3)73-53)54(66)60-46(49)42-69-74(57(4,5)6,44-31-24-21-25-32-44)45-33-26-22-27-34-45/h21-22,24-27,31-34,36,39,46-49,52-53,55H,7-20,23,28-30,35,37-38,40-43,59H2,1-6H3,(H,60,66)(H,61,64,67)/t46-,47+,48-,49+,52-,53-,55-/m1/s1
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n/an/a 6.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318252
PNG
((2R,4S,5S)-2-Aminomethyl-5-[(1R,2R,3R,4R)-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O
Show InChI InChI=1S/C29H48N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(35)33-21(18-30)41-25(22(33)28(38)39)26-23(36)24(37)27(42-26)32-17-16-19(34)31-29(32)40/h16-17,21-27,36-37H,2-15,18,30H2,1H3,(H,38,39)(H,31,34,40)/t21-,22+,23+,24-,25+,26+,27-/m1/s1
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n/an/a 7.40E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50321254
PNG
(2,5-Anhydro-3,4-dihydroxy-1-deoxy-1-(uracil-1'-yl)...)
Show SMILES O[C@@H]1[C@@H](CO[C@@H]2O[C@H](Cn3cc(CNC(=O)[C@@H]4CCCN4)nn3)[C@@H](O)[C@H]2O)O[C@@H](Cn2ccc(=O)[nH]c2=O)[C@H]1O
Show InChI InChI=1S/C23H33N7O10/c31-16-3-5-29(23(37)26-16)8-13-17(32)19(34)15(39-13)10-38-22-20(35)18(33)14(40-22)9-30-7-11(27-28-30)6-25-21(36)12-2-1-4-24-12/h3,5,7,12-15,17-20,22,24,32-35H,1-2,4,6,8-10H2,(H,25,36)(H,26,31,37)/t12-,13-,14+,15+,17+,18+,19+,20+,22+/m0/s1
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n/an/a 8.20E+5n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis transferase MraY after 30 mins


Bioorg Med Chem 18: 4560-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.023
BindingDB Entry DOI: 10.7270/Q26W9B74
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318256
PNG
((2R,4S,5S)-Methyl 2-Aminoethyl-5-[(1R,2R,3R,4R)-2,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C31H52N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(37)35-23(17-19-32)43-27(24(35)30(40)42-2)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)41/h18,20,23-29,38-39H,3-17,19,32H2,1-2H3,(H,33,36,41)/t23-,24+,25+,26-,27+,28+,29-/m1/s1
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n/an/a 9.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Undecaprenyl-phosphate alpha-N-acetylglucosaminyl 1-phosphate transferase


(Thermotoga maritima (strain ATCC 43589 / MSB8 / DS...)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 9.70E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318255
PNG
((2R,4S,5S)-Methyl-2-Aminomethyl-5-[(1R,2R,3R,4R)-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C30H50N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(36)34-22(19-31)42-26(23(34)29(39)41-2)27-24(37)25(38)28(43-27)33-18-17-20(35)32-30(33)40/h17-18,22-28,37-38H,3-16,19,31H2,1-2H3,(H,32,35,40)/t22-,23+,24+,25-,26+,27+,28-/m1/s1
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n/an/a 9.80E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342789
PNG
((3S,6S,7R)-7-tert-Butyldiphenylsilyloxymethyl-4-N-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C50H81N3O8Si/c1-8-11-12-13-14-15-16-17-18-19-20-21-28-33-44(54)58-43-35-53(7)41(37-56-48-46-45(42(34-51)59-48)60-50(9-2,10-3)61-46)47(55)52-40(43)36-57-62(49(4,5)6,38-29-24-22-25-30-38)39-31-26-23-27-32-39/h22-27,29-32,40-43,45-46,48H,8-21,28,33-37,51H2,1-7H3,(H,52,55)/t40-,41+,42-,43+,45-,46-,48-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50318257
PNG
((2R,4S,5S)-Methyl 2-Aminopropyl-5-[(1R,2R,3R,4R)-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C32H54N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23(38)36-24(18-16-20-33)44-28(25(36)31(41)43-2)29-26(39)27(40)30(45-29)35-21-19-22(37)34-32(35)42/h19,21,24-30,39-40H,3-18,20,33H2,1-2H3,(H,34,37,42)/t24-,25+,26+,27-,28+,29+,30-/m1/s1
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n/an/a 1.20E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate


J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Undecaprenyl-phosphate alpha-N-acetylglucosaminyl 1-phosphate transferase


(Thermotoga maritima (strain ATCC 43589 / MSB8 / DS...)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 1.23E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Undecaprenyl-phosphate alpha-N-acetylglucosaminyl 1-phosphate transferase


(Thermotoga maritima (strain ATCC 43589 / MSB8 / DS...)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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n/an/a 1.34E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342786
PNG
((3S,6S,7R)-3-(Benzyloxymethyl)-7-(tertbutyldipheny...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](COCc2ccccc2)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C55H80N4O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-36-52(61)66-50-41-59(39-29-20-28-38-58-40-37-51(60)57-54(58)63)49(44-64-42-45-30-21-17-22-31-45)53(62)56-48(50)43-65-67(55(2,3)4,46-32-23-18-24-33-46)47-34-25-19-26-35-47/h17-19,21-26,30-35,37,40,48-50H,5-16,20,27-29,36,38-39,41-44H2,1-4H3,(H,56,62)(H,57,60,63)/t48-,49+,50+/m1/s1
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n/an/a 1.40E+6n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Undecaprenyl-phosphate alpha-N-acetylglucosaminyl 1-phosphate transferase


(Thermotoga maritima (strain ATCC 43589 / MSB8 / DS...)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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n/an/a 1.56E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 mins


J Med Chem 54: 8421-39 (2011)


Article DOI: 10.1021/jm200906r
BindingDB Entry DOI: 10.7270/Q29P323M
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342787
PNG
((3S,6S,7R)-3-(Benzyloxymethyl)-7-(tertbutyldipheny...)
Show SMILES CC(C)(C)[Si](OC[C@H]1NC(=O)[C@H](COCc2ccccc2)N(CCCCn2ccc(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H48N4O6Si/c1-38(2,3)49(30-17-9-5-10-18-30,31-19-11-6-12-20-31)48-27-32-34(43)25-42(23-14-13-22-41-24-21-35(44)40-37(41)46)33(36(45)39-32)28-47-26-29-15-7-4-8-16-29/h4-12,15-21,24,32-34,43H,13-14,22-23,25-28H2,1-3H3,(H,39,45)(H,40,44,46)/t32-,33+,34+/m1/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Staphylococcus aureus (strain MRSA252))
BDBM50342788
PNG
((3S,6S,7R)-3,7-Dihydroxymethyl-4-N-methyl-6-palmit...)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO)C(=O)N[C@@H]1CO
Show InChI InChI=1S/C24H46N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(29)31-22-17-26(2)21(19-28)24(30)25-20(22)18-27/h20-22,27-28H,3-19H2,1-2H3,(H,25,30)/t20-,21+,22+/m1/s1
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n/an/a 1.74E+6n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus MraY after 30 mins


Eur J Med Chem 46: 1582-92 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.006
BindingDB Entry DOI: 10.7270/Q2FF3SPR
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50321252
PNG
(2,5-Anhydro-3,4-dihydroxy-1-deoxy-1-(uracil-1'-yl)...)
Show SMILES NC(N)=NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Cn3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N5O9/c17-15(18)19-3-6-10(23)13(26)14(30-6)28-5-8-12(25)11(24)7(29-8)4-21-2-1-9(22)20-16(21)27/h1-2,6-8,10-14,23-26H,3-5H2,(H4,17,18,19)(H,20,22,27)/t6-,7+,8-,10-,11-,12-,13-,14-/m1/s1
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n/an/a 1.79E+6n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis transferase MraY after 30 mins


Bioorg Med Chem 18: 4560-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.023
BindingDB Entry DOI: 10.7270/Q26W9B74
More data for this
Ligand-Target Pair
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