| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50448448 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1295531 (CHEMBL3131723) |
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| IC50 | >20000±n/a nM |
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| Citation |  Miller, JF; Chong, PY; Shotwell, JB; Catalano, JG; Tai, VW; Fang, J; Banka, AL; Roberts, CD; Youngman, M; Zhang, H; Xiong, Z; Mathis, A; Pouliot, JJ; Hamatake, RK; Price, DJ; Seal, JW; Stroup, LL; Creech, KL; Carballo, LH; Todd, D; Spaltenstein, A; Furst, S; Hong, Z; Peat, AJ Hepatitis C replication inhibitors that target the viral NS4B protein. J Med Chem57:2107-20 (2014) [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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| BDBM50448448 |
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| n/a |
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| Name | BDBM50448448 |
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| Synonyms: | CHEMBL3125655 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H22ClF3N4O3 |
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| Mol. Mass. | 482.883 |
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| SMILES | O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r| |
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| Structure | 
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