Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM45636
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
236.593333±34.886247 nM
Citation
 PubChem, PC Factor XIIa 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[AID] 
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:
BDBM45636
Synonyms:
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
Type:
Small organic molecule
Emp. Form.:
C13H9FN4O2
Mol. Mass.:
272.2346
SMILES:
Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: