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TargetCytochrome P450 2C9
LigandBDBM50139807
Substrate/Competitorn/a
Meas. Tech.ChEMBL_51556 (CHEMBL661229)
Ki 16000±n/a nM
Citation Afzelius, LZamora, IMasimirembwa, CMKarlén, AAndersson, TBMecucci, SBaroni, MCruciani, 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50139807
n/a
NameBDBM50139807
Synonyms:(2S,4S)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-5-one | CHEMBL354260
TypeSmall organic molecule
Emp. Form.C20H20O4
Mol. Mass.324.3704
SMILESCO[C@]1(C)C[C@@H](C2C(O1)c1ccccc1OC2=O)c1ccccc1
Structure
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