Target
Coagulation factor XII
Ligand
BDBM498893
Substrate
n/a
Meas. Tech.
Factor XIIa assay
IC50
49.2±n/a nM
Citation
 Hicks, JDMcKittrick, BAWhitehead, BRLombardo, MHan, XTaylor, JAChu, HDSo, SOrth, PWu, Z Factor XIIa inhibitors US Patent  US11014920 Publication Date 5/25/2021 
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:
BDBM498893
Synonyms:
(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
Type:
Small organic molecule
Emp. Form.:
C35H47ClN6O3S
Mol. Mass.:
667.304
SMILES:
Cc1cnc(s1)C(=O)N[C@@H]1CCN(C[C@@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1 |r|
Structure:
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