Reaction Details |
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Target | Cytochrome P450 2A6 |
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Ligand | BDBM12370 |
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Substrate/Competitor | BDBM12342 |
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Meas. Tech. | CYP2A6 Inhibition Assay |
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Ki | 300±n/a 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, Solution Info, Assay Method |
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Cytochrome P450 2A6 |
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Name: | Cytochrome P450 2A6 |
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) |
Type: | Protein |
Mol. Mass.: | 56514.34 |
Organism: | Homo sapiens (Human) |
Description: | P11509 |
Residue: | 494 |
Sequence: | MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMK
ISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSN
GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSN
VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQL
LQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFI
GGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQ
RFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEK
GQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF
ATIPRNYTMSFLPR
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BDBM12370 |
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BDBM12342 |
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Name | BDBM12370 |
Synonyms: | (3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3-(3-pyridyl)-1H-pyrazol-5-yl]methylamine;hydrochloride | [3-(pyridin-3-yl)-1H-pyrazol-5-yl]methanamine | nicotine 3-heteroaromatic analogue 32 |
Type | Small organic molecule |
Emp. Form. | C9H10N4 |
Mol. Mass. | 174.2025 |
SMILES | NCc1cc(n[nH]1)-c1cccnc1 |
Structure |
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