Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50262487 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_514583 (CHEMBL979961) |
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IC50 | 24000±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 3A4 |
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Name: | Cytochrome P450 3A4 |
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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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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