| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2A6 |
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| Ligand | BDBM12346 |
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| Substrate/Competitor | BDBM12342 |
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| Meas. Tech. | CYP2A6 Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 310.15±n/a K |
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| Ki | 800±200 nM |
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| Citation |  Yano, JK; Denton, TT; Cerny, MA; Zhang, X; Johnson, EF; Cashman, JR Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. J Med Chem49:6987-7001 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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| BDBM12346 |
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| BDBM12342 |
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| Name | BDBM12346 |
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| Synonyms: | CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-3-yl)furan-2-yl]methyl})amine | nicotine 3-heteroaromatic analogue 2b |
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| Type | Small organic molecule |
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| Emp. Form. | C11H12N2O |
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| Mol. Mass. | 188.2258 |
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| SMILES | CNCc1ccc(o1)-c1cccnc1 |
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| Structure | 
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