Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40358
Substrate
n/a
Meas. Tech.
Factor XIIa Dose Response Confirmation
IC50
>50000±0 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:
BDBM40358
Synonyms:
MLS000088528 | N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide | N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide | N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide | N-{[4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide | SMR000024148 | cid_3237855
Type:
Small organic molecule
Emp. Form.:
C18H18N4O3S
Mol. Mass.:
370.426
SMILES:
COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S |(10.76,-2.55,;12.1,-1.78,;13.43,-2.55,;13.43,-4.09,;14.76,-4.86,;16.1,-4.09,;16.1,-2.55,;14.76,-1.78,;14.76,-.24,;13.52,.66,;12.05,.19,;10.91,1.22,;9.44,.74,;9.12,-.77,;8.3,1.77,;6.83,1.3,;5.69,2.33,;6.01,3.83,;4.86,4.86,;3.4,4.39,;3.08,2.88,;4.22,1.85,;13.99,2.13,;15.53,2.13,;16.01,.66,;17.47,.19,)|
Structure:
Search PDB for entries with ligand similarity: