| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50110590 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_873332 (CHEMBL2185185) |
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| IC50 | 9600±n/a nM |
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| Citation |  Orr, ST; Ripp, SL; Ballard, TE; Henderson, JL; Scott, DO; Obach, RS; Sun, H; Kalgutkar, AS Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks. J Med Chem55:4896-933 (2012) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50110590 |
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| n/a |
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| Name | BDBM50110590 |
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| Synonyms: | 2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure | 2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure | 2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid | CHEMBL457 | GEMFIBROZIL |
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| Type | Small organic molecule |
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| Emp. Form. | C15H22O3 |
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| Mol. Mass. | 250.3334 |
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| SMILES | Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 |
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| Structure | 
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