Reaction Details Report a problem with these data
Target
Cytochrome P450 2A13
Ligand
BDBM84687
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.6000±0.0000
Temperature
310.1500±0.0000 K
IC50
2.47e+5± 1.8e+4 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 2A13
Synonyms:
CYPIIA13 | Cytochrome P450 2A13 (CYP2A13) | CP2AD_HUMAN | CYP2A13
Type:
Protein
Mol. Mass.:
56702.46
Organism:
Human
Description:
Q16696
Residue:
494
Sequence:
MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGERAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTFFLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEMFSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAHRVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQFKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM84687
Synonyms:
2-Subsituted 1H-imidazole, 26
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(CCC=C(C)C)Cc1ncc[nH]1 |(-6.63,4.77,;-7.96,5.54,;-7.96,7.08,;-6.63,7.85,;-6.63,9.39,;-5.29,10.16,;-5.29,11.7,;-3.96,9.39,;-9.3,4.77,;-9.3,3.23,;-10.54,2.33,;-10.07,.87,;-8.53,.87,;-8.05,2.33,)|
Structure:
Search PDB for entries with ligand similarity: