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Target
Cytochrome P450 2A6
Ligand
BDBM12346
Substrate
BDBM12342
Meas. Tech.
CYP2A6 Inhibition Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Ki
800±200 nM
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 Chem 49:6987-7001 (2006) [PubMed]  Article 
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:
BDBM12346
Synonyms:
CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-3-yl)furan-2-yl]methyl})amine | nicotine 3-heteroaromatic analogue 2b
Type:
Small organic molecule
Emp. Form.:
C11H12N2O
Mol. Mass.:
188.2258
SMILES:
CNCc1ccc(o1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12342
Synonyms:
2H-chromen-2-one | CHEMBL6466 | Coumarin
Type:
Natural product
Emp. Form.:
C9H6O2
Mol. Mass.:
146.1427
SMILES:
O=c1ccc2ccccc2o1
Structure:
Search PDB for entries with ligand similarity: