Target
Coagulation factor XII
Ligand
BDBM476360
Substrate
n/a
Meas. Tech.
Factor XIIa Assay
IC50
11.8±n/a nM
Citation
 Rao, AUMcKittrick, BALombardo, MHicks, JDBittner McCracken, AChu, HDSo, SOrth, PWu, ZLan, PDebenham, JSWhitehead, BRTaylor, JASun, ZKatipally, RRGable, JEDahlgren, MKBhat, SP Factor XIIa inhibitors US Patent  US10875851 Publication Date 12/29/2020 
Target
Name:
Coagulation factor XII
Synonyms:
Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | Coagulation factor XII (FXII) | Coagulation factor XIIa heavy chain | Coagulation factor XIIa light chain | F12 | FA12_HUMAN | Factor XIIa | Factor XIIa (fXIIa) | HAF | Hageman factor
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Homo sapiens (Human)
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM476360
Synonyms:
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
Type:
Small organic molecule
Emp. Form.:
C43H54N6O4S
Mol. Mass.:
750.992
SMILES:
NCCCC[C@@H](NC1CCC2(CCN(Cc3ccccc3)C2)CC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1cccc2ccccc12 |r,wU:31.35,5.5,(-2.02,-8.66,;-2.02,-7.12,;-.69,-6.35,;-.69,-4.81,;.64,-4.04,;.64,-2.5,;-.69,-1.73,;-2.02,-2.5,;-3.36,-1.73,;-4.69,-2.5,;-4.69,-4.04,;-6.15,-3.56,;-7.06,-4.81,;-6.15,-6.05,;-6.55,-7.54,;-8.04,-7.94,;-9.13,-6.85,;-10.62,-7.25,;-11.02,-8.74,;-9.93,-9.82,;-8.44,-9.43,;-4.69,-5.58,;-3.36,-4.81,;-2.02,-4.04,;1.98,-1.73,;3.31,-2.5,;1.98,-.19,;.64,.58,;.64,2.12,;1.98,2.89,;3.31,2.12,;3.31,.58,;4.65,-.19,;4.65,-1.73,;5.98,.58,;7.31,-.19,;8.65,.58,;8.65,2.12,;10.11,2.6,;11.02,1.35,;10.11,.11,;1.98,4.43,;.64,5.2,;3.31,5.2,;3.31,6.74,;4.65,7.51,;4.65,9.05,;3.31,9.82,;1.98,9.05,;.64,9.82,;-.69,9.05,;-.69,7.51,;.64,6.74,;1.98,7.51,)|
Structure:
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