Reaction Details Report a problem with these data
Target
Cytochrome P450 2A5
Ligand
BDBM23989
Substrate
n/a
Meas. Tech.
ChEMBL_305268 (CHEMBL832818)
IC50
9700±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:
BDBM23989
Synonyms:
1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 | dihydro-naphthalenone, 4e | dihydronaphthalenone
Type:
Small organic molecule
Emp. Form.:
C10H10O
Mol. Mass.:
146.1858
SMILES:
O=C1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: