Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM50004108
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
2.63e+4± 3.4e+3 nM
Citation
 Cashman, JR Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer US Patent  US8609708 Publication Date 12/17/2013 
Target
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:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM50004108
Synonyms:
(+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3-(1-methylpyrrolidin-2-yl)pyridine | CHEMBL440464 | Nicotin | Nicotine-(+) | Nikotin | US11667638, Example Nicotine | US8609708, 54 Nicotine | US9284322, Nicotine | US9993465, Nicotine | nicotine
Type:
Small organic molecule
Emp. Form.:
C10H14N2
Mol. Mass.:
162.2316
SMILES:
CN1CCCC1c1cccnc1
Structure:
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