Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50171971 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_306125 (CHEMBL833064) |
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IC50 | 2000±n/a nM |
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Citation | O'Meara, JA; Yoakim, C; Bonneau, PR; Bös, M; Cordingley, MG; Déziel, R; Doyon, L; Duan, J; Garneau, M; Guse, I; Landry, S; Malenfant, E; Naud, J; Ogilvie, WW; Thavonekham, B; Simoneau, B Novel 8-substituted dipyridodiazepinone inhibitors with a broad-spectrum of activity against HIV-1 strains resistant to non-nucleoside reverse transcriptase inhibitors. J Med Chem48:5580-8 (2005) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50171971 |
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n/a |
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Name | BDBM50171971 |
Synonyms: | 4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acid | CHEMBL192530 |
Type | Small organic molecule |
Emp. Form. | C24H24N4O4 |
Mol. Mass. | 432.4718 |
SMILES | CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12 |
Structure |
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