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TargetCytochrome P450 2C9
LigandBDBM50224107
Substrate/Competitorn/a
Meas. Tech.ChEMBL_450437
IC50>40000±n/a nM
Citation Ahlström, MMRidderström, MZamora, I CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites. J Med Chem50:5382-91 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
Name:Cytochrome P450 2C9
Synonyms:(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CYPIIC9 | Cytochrome P450 1A2 (CYP1A2) | 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:Homo sapiens (human)
Description:P11712
Residue:490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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  Blast E-value cutoff:
BDBM50224107
NameBDBM50224107
Synonyms:CHEMBL241971 | ethyl 4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)benzoate | ethyl 4-[5-(4-Trifluoromethylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]-benzoate
TypeSmall organic molecule
Emp. Form.C20H14F6N2O2
Mol. Mass.428.3278
SMILESCCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Structure
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n/a