Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM33697
Substrate
n/a
Meas. Tech.
Factor XIIa 1536 HTS Dose Response Confirmation
IC50
964.543333±98.591759 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:
BDBM33697
Synonyms:
2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | 2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester | MLS000327834 | SMR000180809 | cid_4271676 | ethyl 2-({3-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate | ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate | ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate
Type:
Small organic molecule
Emp. Form.:
C14H16N4O3S
Mol. Mass.:
320.367
SMILES:
CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
Structure:
Search PDB for entries with ligand similarity: