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Target
Cytochrome P450 2A6
Ligand
BDBM50005246
Substrate
n/a
Meas. Tech.
ChEMBL_305266 (CHEMBL832816)
IC50
3500±n/a nM
Citation
 Rahnasto, M; Raunio, H; Poso, A; Wittekindt, C; Juvonen, RO Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. J Med Chem 48:440-9 (2005) [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:
BDBM50005246
Synonyms:
1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | 1-phenylpropan-2-amine | AMP ASPARTATE | AMPHETAMINE | AMPHETAMINE SULFATE | Amfetamine | Amphetamin | DEXTROAMP SACCHARATE | alpha-methylbenzeneethaneamine | alpha-methylphenylethylamine | amfetaminum | beta-Phenylisopropylamin | beta-aminopropylbenzene | beta-phenylisopropylamine | desoxynorephedrine
Type:
Small organic molecule
Emp. Form.:
C9H13N
Mol. Mass.:
135.2062
SMILES:
CC(N)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: