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TargetCytochrome P450 2C9
LigandBDBM50343352
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51556 (CHEMBL661229)
Ki 20000±n/a nM
Citation Afzelius, L; Zamora, I; Masimirembwa, CM; Karlén, A; Andersson, TB; Mecucci, S; Baroni, M; Cruciani, G Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors. J Med Chem47:907-14 (2004) [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 | 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:
BDBM50343352
n/a
NameBDBM50343352
Synonyms:2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one | 4-(4-hydroxy-2-oxo-2H-3-chromenyl)-4-phenyl-2-butanone | 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one | CHEMBL1464 | Coumadin | Jantoven | Warfarin4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one | wafarin | warfarin | warfarine
TypeSmall organic molecule
Emp. Form.C19H16O4
Mol. Mass.308.3279
SMILESCC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Structure
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