Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33585
Substrate
n/a
Meas. Tech.
Factor XIIa Dose Response Confirmation
IC50
5553.216667±362.396099 nM
Citation
 PubChem, PC Factor XIIa 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:
BDBM33585
Synonyms:
3-(4-chlorophenyl)-1-(3-pyridinylcarbonyl)-1H-1,2,4-triazol-5-amine | MLS000064530 | SMR000077097 | [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone | [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone | [5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone | [5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone | cid_971718
Type:
Small organic molecule
Emp. Form.:
C14H10ClN5O
Mol. Mass.:
299.715
SMILES:
Nc1nc(nn1C(=O)c1cccnc1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: