| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2A6 |
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| Ligand | BDBM50037724 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1438834 (CHEMBL3390302) |
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| Ki | 200±n/a nM |
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| Citation |  Tani, N; Juvonen, RO; Raunio, H; Fashe, M; Leppänen, J; Zhao, B; Tyndale, RF; Rahnasto-Rilla, M Rational design of novel CYP2A6 inhibitors. Bioorg Med Chem22:6655-64 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2A6 |
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| Name: | Cytochrome P450 2A6 |
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| Synonyms: | 1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I) |
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| Type: | Protein |
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| Mol. Mass.: | 56514.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11509 |
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| Residue: | 494 |
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| Sequence: | MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMK
ISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSN
GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSN
VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQL
LQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFI
GGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQ
RFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEK
GQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF
ATIPRNYTMSFLPR
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| BDBM50037724 |
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| n/a |
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| Name | BDBM50037724 |
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| Synonyms: | CHEMBL3358196 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H8BrNS |
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| Mol. Mass. | 242.136 |
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| SMILES | NCc1csc2ccc(Br)cc12 |
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| Structure | 
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