| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50023279 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1458793 (CHEMBL3368247) |
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| IC50 | >10000±n/a nM |
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| Citation |  Ivachtchenko, AV; Mitkin, OD; Yamanushkin, PM; Kuznetsova, IV; Bulanova, EA; Shevkun, NA; Koryakova, AG; Karapetian, RN; Bichko, VV; Trifelenkov, AS; Kravchenko, DV; Vostokova, NV; Veselov, MS; Chufarova, NV; Ivanenkov, YA Discovery of novel highly potent hepatitis C virus NS5A inhibitor (AV4025). J Med Chem57:7716-30 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C19 |
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| Name: | Cytochrome P450 2C19 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50023279 |
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| n/a |
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| Name | BDBM50023279 |
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| Synonyms: | CHEMBL3341815 |
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| Type | Small organic molecule |
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| Emp. Form. | C38H47ClN8O6 |
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| Mol. Mass. | 747.283 |
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| SMILES | Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| |
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| Structure | 
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