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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cytochrome P450 3A4 | ||
| Ligand | BDBM50221063 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_571408 (CHEMBL1029448) | ||
| Ki | 7600±n/a nM | ||
| Citation |  McNulty, J; Nair, JJ; Singh, M; Crankshaw, DJ; Holloway, AC; Bastida, J Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids. Bioorg Med Chem Lett19:3233-7 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cytochrome P450 3A4 | |||
| 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: |
| ||
| BDBM50221063 | |||
| n/a | |||
| Name | BDBM50221063 | ||
| Synonyms: | (1S,2S,12bS,12cS)-1,2-Diol-2,4,5,7, 12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1-acetate | 1-Acetoxylycorine | 1-Acetyllycorine | 1-O-Acetyllycorine | CHEMBL251077 | acetic acid (1S,2S,12bS,12cS)-2-hydroxy-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl ester | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H19NO5 | ||
| Mol. Mass. | 329.3472 | ||
| SMILES | CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5OCOc5cc4[C@H]1[C@@H]23 |r,t:7| | ||
| Structure | 
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