Reaction Details Report a problem with these data
Target
Coagulation factor XII
Ligand
BDBM22774
Substrate
BDBM22723
Meas. Tech.
Enzyme Inhibition Assay
Ki
>100000±n/a nM
Citation
 Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem 48:2906-15 (2005) [PubMed]  Article 
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:
BDBM22774
Synonyms:
1,4-Benzoquinone | Benzil-related compound, 53 | CHEMBL8320 | benzoquinone | cid_4650 | cyclohexa-2,5-diene-1,4-dione
Type:
Small organic molecule
Emp. Form.:
C6H4O2
Mol. Mass.:
108.0948
SMILES:
O=C1C=CC(=O)C=C1 |c:2,6|
Structure:
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Substrate
Name:
BDBM22723
Synonyms:
2-nitrophenyl acetate | Nitrophenyl Acetate | o-NPA | o-nitrophenyl acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccccc1[N+]([O-])=O
Structure:
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