Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM50113851
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
9.7e+2± 2.2e+2 nM
Citation
 Cashman, JR Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer US Patent  US8609708 Publication Date 12/17/2013 
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:
BDBM50113851
Synonyms:
(+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopropylamine | 2-phenylcyclopropanamine | CHEMBL313833 | TRANYLCYPROMINE | Tranylcypromine,(+) | Tranylcypromine,(-) | US8609708, 6 Tranyl- cypromine | US8609708, 6 Tranylcypromine
Type:
Small organic molecule
Emp. Form.:
C9H11N
Mol. Mass.:
133.1903
SMILES:
NC1CC1c1ccccc1
Structure:
Search PDB for entries with ligand similarity: