Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM84694
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.6000±0.0000
Temperature
310.1500±0.0000 K
IC50
2.38e+4± 2.2e+3 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:
1.14.13.- | CYPIIA6 | 1,4-cineole 2-exo-monooxygenase | Cytochrome P450 IIA3 | Cytochrome P450(I) | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | CP2A6_HUMAN | CYP2A6 | CYP2A3
Type:
Protein
Mol. Mass.:
56514.34
Organism:
Human
Description:
P11509
Residue:
494
Sequence:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM84694
Synonyms:
2-Subsituted pyrazine, 34
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C=CCCCCCc1cnccn1
Structure:
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