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TargetCytochrome P450 2C9
LigandBDBM50090676
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51551 (CHEMBL840930)
Ki 45000±n/a nM
Citation Rao, SAoyama, RSchrag, MTrager, WFRettie, AJones, JP A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions. J Med Chem43:2789-96 (2000) [PubMed]
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 | 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: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:
BDBM50090676
n/a
NameBDBM50090676
Synonyms:(+-)-2-(p-(2-thenoyl)phenyl)propionic acid | 2-(4-(2-Thenoyl)phenyl)propionsaeure | 2-[4-(thiophen-2-ylcarbonyl)phenyl]propanoic acid | 4-(2-Thenoyl)hydratropsaeure | CHEMBL956 | SUPROFEN | alpha-methyl-4-(2-thienylcarbonyl)benzeneacetic acid | p-2-thenoylhydratropic acid
TypeSmall organic molecule
Emp. Form.C14H12O3S
Mol. Mass.260.308
SMILESCC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1
Structure
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