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Target
Cytochrome P450 2A5
Ligand
BDBM50159265
Substrate
n/a
Meas. Tech.
ChEMBL_305268 (CHEMBL832818)
IC50
4680±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:
BDBM50159265
Synonyms:
4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL190927 | PTAL | Paratolualdehyde | p-Tolualdehyde, c | p-Toluylaldehyde | p-Tolylaldehyde | p-tolualdehyde | para-Methylbenzaldehyde | para-Tolualdehyde | para-Toluyl aldehyde
Type:
Small organic molecule
Emp. Form.:
C8H8O
Mol. Mass.:
120.1485
SMILES:
Cc1ccc(C=O)cc1
Structure:
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