| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50612991 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2290737 |
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| IC50 | 400±n/a nM |
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| Citation |  Göricke, F; Vu, V; Smith, L; Scheib, U; Böhm, R; Akkilic, N; Wohlfahrt, G; Weiske, J; Bömer, U; Brzezinka, K; Lindner, N; Lienau, P; Gradl, S; Beck, H; Brown, PJ; Santhakumar, V; Vedadi, M; Barsyte-Lovejoy, D; Arrowsmith, CH; Schmees, N; Petersen, K Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21. J Med Chem66:3431-3447 (2023) [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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| BDBM50612991 |
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| n/a |
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| Name | BDBM50612991 |
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| Synonyms: | CHEMBL5279102 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H28F3N5O2S |
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| Mol. Mass. | 507.572 |
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| SMILES | CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)Nc1nnc(Cc2ccc(cc2)C#N)s1 |r| |
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| Structure | 
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