Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50387085 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_827667 (CHEMBL2050706) |
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IC50 | 13800±n/a nM |
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Citation | Zhang, H; Zhou, L; Amblard, F; Shi, J; Bobeck, DR; Tao, S; McBrayer, TR; Tharnish, PM; Whitaker, T; Coats, SJ; Schinazi, RF Synthesis and evaluation of novel potent HCV NS5A inhibitors. Bioorg Med Chem Lett22:4864-8 (2012) [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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BDBM50387085 |
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n/a |
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Name | BDBM50387085 |
Synonyms: | CHEMBL2047188 |
Type | Small organic molecule |
Emp. Form. | C40H48Cl2N8O6 |
Mol. Mass. | 807.765 |
SMILES | COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Cl)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| |
Structure |
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