| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50073235 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_51898 |
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| IC50 | 15000±n/a nM |
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| Citation |  Chen, X; Kempf, DJ; Sham, HL; Green, BE; Molla, A; Korneyeva, M; Vasavanonda, S; Wideburg, NE; Saldivar, A; Marsh, KC; McDonald, E; Norbeck, DW Potent piperazine hydroxyethylamine HIV protease inhibitors containing novel P3 ligands. Bioorg Med Chem Lett8:3531-6 (1999) [PubMed] |
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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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50073235 |
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| n/a |
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| Name | BDBM50073235 |
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| Synonyms: | CHEMBL263179 | {(S)-1-[(1S,2R)-1-Benzyl-3-((S)-2-tert-butylcarbamoyl-4-thiazol-5-ylmethyl-piperazin-1-yl)-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-carbamic acid 2-isopropyl-thiazol-4-ylmethyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C36H53N7O5S2 |
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| Mol. Mass. | 727.98 |
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| SMILES | CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cncs2)C[C@H]1C(=O)NC(C)(C)C |
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| Structure | 
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