Reaction Details | |||
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Target | Cytochrome P450 1A2 | ||
Ligand | BDBM50503764 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1812127 (CHEMBL4311587) | ||
IC50 | 1190±n/a nM | ||
Citation | Kubo, M; Yamamoto, K; Itoh, T Design and synthesis of selective CYP1B1 inhibitor via dearomatization of ?-naphthoflavone. Bioorg Med Chem27:285-304 (2019) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 1A2 | |||
Name: | Cytochrome P450 1A2 | ||
Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 | ||
Type: | Enzyme | ||
Mol. Mass.: | 58423.38 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P05177 | ||
Residue: | 516 | ||
Sequence: |
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BDBM50503764 | |||
n/a | |||
Name | BDBM50503764 | ||
Synonyms: | CHEMBL4464279 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H17N3O2 | ||
Mol. Mass. | 319.3572 | ||
SMILES | [N-]=[N+]=N[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,wD:3.2,(42.94,-24.76,;41.62,-23.99,;40.29,-23.21,;38.95,-23.97,;37.62,-23.19,;36.28,-23.95,;36.28,-25.49,;37.6,-26.26,;38.93,-25.51,;34.94,-26.25,;34.94,-27.8,;33.6,-28.57,;33.59,-30.11,;32.26,-27.79,;30.93,-28.57,;29.6,-27.8,;29.6,-26.25,;28.27,-25.5,;28.26,-23.97,;29.59,-23.19,;30.92,-23.95,;30.93,-25.48,;32.27,-26.25,;33.6,-25.47,)| | ||
Structure |