Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50232842 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_529685 (CHEMBL972103) |
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Ki | 101±n/a nM |
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Citation | Peng, CC; Rushmore, T; Crouch, GJ; Jones, JP Modeling and synthesis of novel tight-binding inhibitors of cytochrome P450 2C9. Bioorg Med Chem16:4064-74 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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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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BDBM50232842 |
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n/a |
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Name | BDBM50232842 |
Synonyms: | 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-4H-chromen-4-one | CHEMBL250251 |
Type | Small organic molecule |
Emp. Form. | C18H12Br2O4 |
Mol. Mass. | 452.093 |
SMILES | CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1 |
Structure |
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