| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50555233 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2051621 (CHEMBL4706320) |
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| IC50 | >50000±n/a nM |
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| Citation |  Davies, DT; Leiris, S; Zalacain, M; Sprynski, N; Castandet, J; Bousquet, J; Lozano, C; Llanos, A; Alibaud, L; Vasa, S; Pattipati, R; Valige, R; Kummari, B; Pothukanuri, S; De Piano, C; Morrissey, I; Holden, K; Warn, P; Marcoccia, F; Benvenuti, M; Pozzi, C; Tassone, G; Mangani, S; Docquier, JD; Pallin, D; Elliot, R; Lemonnier, M; Everett, M Discovery of J Med Chem63:15802-15820 (2020) [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 |
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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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| BDBM50555233 |
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| n/a |
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| Name | BDBM50555233 |
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| Synonyms: | CHEMBL4753698 |
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| Type | Small organic molecule |
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| Emp. Form. | C6H8FN2NaO5S |
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| Mol. Mass. | 262.191 |
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| SMILES | [Na;v0+].[H][C@]12[#6]-[#7](-[#6@H](F)-[#6]-[#6]1)-[#6](=O)-[#7]2-[#8]S([#8-])(=O)=O |r| |
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| Structure | 
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