Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM84686
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.6±0
Temperature
310.15±0 K
IC50
>3.00e+5±n/a nM
Citation
 Chougnet, A; Woggon, WD; Locher, E; Schilling, B Synthesis and in vitro activity of heterocyclic inhibitors of CYP2A6 and CYP2A13, two cytochrome P450 enzymes present in the respiratory tract. Chembiochem 10:1562-7 (2009) [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:
BDBM84686
Synonyms:
2-Subsituted 1H-imidazole, 23
Type:
Small organic molecule
Emp. Form.:
C13H20N2
Mol. Mass.:
204.3113
SMILES:
CC(C)=CCC\C(C)=C\Cc1ncc[nH]1 |(-3.96,12.47,;-5.29,11.7,;-6.63,12.47,;-5.29,10.16,;-6.63,9.39,;-6.63,7.85,;-7.96,7.08,;-9.3,7.85,;-7.96,5.54,;-9.3,4.77,;-9.3,3.23,;-10.54,2.33,;-10.07,.87,;-8.53,.87,;-8.05,2.33,)|
Structure:
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