Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM32722
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
3957.196667±1342.03615 nM
Citation
 PubChem, PC Factor XIIa 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[AID] 
Target
Name:
Coagulation factor XII
Synonyms:
Coagulation factor XIIa heavy chain | Beta-factor XIIa part 1 | Beta-factor XIIa part 2 | Coagulation factor XIIa light chain | Hageman factor | HAF | Factor XIIa (fXIIa) | Carboxylesterase 2 (intestine, liver) | Coagulation factor XII | FA12_HUMAN | F12 | Factor XIIa | Coagulation factor XII (FXII)
Type:
Enzyme
Mol. Mass.:
67810.07
Organism:
Human
Description:
P00748
Residue:
615
Sequence:
MRALLLLGFLLVSLESTLSIPPWEAPKEHKYKAEEHTVVLTVTGEPCHFPFQYHRQLYHKCTHKGRPGPQPWCATTPNFDQDQRWGYCLEPKKVKDHCSKHSPCQKGGTCVNMPSGPHCLCPQHLTGNHCQKEKCFEPQLLRFFHKNEIWYRTEQAAVARCQCKGPDAHCQRLASQACRTNPCLHGGRCLEVEGHRLCHCPVGYTGAFCDVDTKASCYDGRGLSYRGLARTTLSGAPCQPWASEATYRNVTAEQARNWGLGGHAFCRNPDNDIRPWCFVLNRDRLSWEYCDLAQCQTPTQAAPPTPVSPRLHVPLMPAQPAPPKPQPTTRTPPQSQTPGALPAKREQPPSLTRNGPLSCGQRLRKSLSSMTRVVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
  
Inhibitor
Name:
BDBM32722
Synonyms:
cid_3586641 | (4-chlorophenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone | SMR000127548 | MLS000522280 | (4-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone | (4-chlorophenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone
Type:
Small organic molecule
Emp. Form.:
C14H10ClN3O2S
Mol. Mass.:
319.02
SMILES:
CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: