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Target
Cytochrome P450 2A5
Ligand
BDBM50005246
Substrate
n/a
Meas. Tech.
ChEMBL_305268 (CHEMBL832818)
IC50
2850±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 2A5
Synonyms:
CP2A5_MOUSE | Cyp2a-5 | Cyp2a5
Type:
PROTEIN
Mol. Mass.:
56752.73
Organism:
Mus musculus
Description:
ChEMBL_572014
Residue:
494
Sequence:
MLTSGLLLVAAVAFLSVLVLMSVWKQRKLSGKLPPGPTPLPFIGNFLQLNTEQMYNSLMKISQRYGPVFTIYLGPRRIVVLCGQEAVKEALVDQAEEFSGRGEQATFDWLFKGYGVVFSSGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDSFRKTNGAFIDPTFYLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSMGQLYEMFSSVMKHLPGPQQQAFKELQGLEDFITKKVEHNQRTLDPNSPRDFIDSFLIRMLEEKKNPNTEFYMKNLVLTTLNLFFAGTETVSTTLRYGFLLLMKHPDIEAKVHEEIDRVIGRNRQPKYEDRMKMPYTEAVIHEIQRFADMIPMGLARRVTKDTKFRDFLLPKGTEVFPMLGSVLKDPKFFSNPKDFNPKHFLDDKGQFKKNDAFVPFSIGKRYCFGEGLARMELFLFLTNIMQNFHFKSTQAPQDIDVSPRLVGFATIPPTYTMSFLSR
  
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: