Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50262487 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_514592 (CHEMBL979970) |
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IC50 | 21000±n/a nM |
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Citation | Sweeney, ZK; Dunn, JP; Li, Y; Heilek, G; Dunten, P; Elworthy, TR; Han, X; Harris, SF; Hirschfeld, DR; Hogg, JH; Huber, W; Kaiser, AC; Kertesz, DJ; Kim, W; Mirzadegan, T; Roepel, MG; Saito, YD; Silva, TM; Swallow, S; Tracy, JL; Villasenor, A; Vora, H; Zhou, AS; Klumpp, K Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett18:4352-4 (2008) [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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BDBM50262487 |
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n/a |
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Name | BDBM50262487 |
Synonyms: | 3-(6-chloro-2-fluoro-3-((5-methyl-6-oxo-1,6-dihydropyridazin-3-yl)methyl)phenoxy)-5-fluorobenzonitrile | CHEMBL477145 |
Type | Small organic molecule |
Emp. Form. | C19H12ClF2N3O2 |
Mol. Mass. | 387.767 |
SMILES | Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O |
Structure |
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