| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2A6 |
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| Ligand | BDBM12341 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| pH | 7.5±n/a |
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| IC50 | 160±n/a nM |
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| Comments | extracted |
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| Citation |  Cashman, JR Synthetic compounds and methods to decrease nicotine self-administration US Patent US8906943 Publication Date 12/9/2014 |
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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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|
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| BDBM12341 |
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| n/a |
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| Name | BDBM12341 |
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| Synonyms: | CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US8609708, 31 | [5-(pyridin-3-yl)thiophen-2-yl]methanamine | nicotine 3-heteroaromatic analogue 1a |
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| Type | Small organic molecule |
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| Emp. Form. | C10H10N2S |
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| Mol. Mass. | 190.265 |
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| SMILES | NCc1ccc(s1)-c1cccnc1 |
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| Structure | 
|
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