Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM40355
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:
BDBM40355
Synonyms:
2-(4-chloranylphenoxy)-N-[[5-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]ethanamide | 2-(4-chlorophenoxy)-N-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide | 2-(4-chlorophenoxy)-N-[[5-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide | 2-(4-chlorophenoxy)-N-[[5-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]acetamide | 2-(4-chlorophenoxy)-N-{[5-({2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide | MLS000091564 | SMR000026117 | cid_3237102
Type:
Small organic molecule
Emp. Form.:
C21H21ClN4O6S
Mol. Mass.:
492.933
SMILES:
COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: