Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33449
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
2086.316667±144.524795 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:
BDBM33449
Synonyms:
(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
Type:
Small organic molecule
Emp. Form.:
C14H12N4O2
Mol. Mass.:
268.2707
SMILES:
Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: