Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50090674
Substrate
n/a
Meas. Tech.
ChEMBL_51551 (CHEMBL840930)
Ki
11000±n/a nM
Citation
 Rao, S; Aoyama, R; Schrag, M; Trager, WF; Rettie, A; Jones, JP A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions. J Med Chem 43:2789-96 (2000) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Human
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50090674
Synonyms:
CHEMBL267744 | Ticrynafen | Tienilic Acid | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid (tienilic acid) | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(Tienilic acid) | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(ticrynafen)
Type:
Small organic molecule
Emp. Form.:
C13H8Cl2O4S
Mol. Mass.:
331.171
SMILES:
OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
Structure:
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