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Target
Cytochrome P450 2A13
Ligand
BDBM50240850
Substrate
n/a
Meas. Tech.
ChEMBL_1486541 (CHEMBL3532210)
Ki
3800±n/a nM
Citation
 Stephens, ES; Walsh, AA; Scott, EE Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes. Drug Metab Dispos 40:1797-802 (2012) [PubMed]  Article 
Target
Name:
Cytochrome P450 2A13
Synonyms:
CP2AD_HUMAN | CYP2A13 | CYPIIA13 | Cytochrome P450 2A13 (CYP2A13)
Type:
Protein
Mol. Mass.:
56702.46
Organism:
Homo sapiens (Human)
Description:
Q16696
Residue:
494
Sequence:
MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVKEALVDQAEEFSGRGEQATFDWLFKGYGVAFSNGERAKQLRRFSIATLRGFGVGKRGIEERIQEEAGFLIDALRGTHGANIDPTFFLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSTGQLYEMFSSVMKHLPGPQQQAFKELQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFFAGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYTEAVIHEIQRFGDMLPMGLAHRVNKDTKFRDFFLPKGTEVFPMLGSVLRDPRFFSNPRDFNPQHFLDKKGQFKKSDAFVPFSIGKRYCFGEGLARMELFLFFTTIMQNFRFKSPQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM50240850
Synonyms:
(2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | Phenethyl isothiocyanate | phenethylisothiocyanate | phenylethyl isothiocyanate
Type:
Small organic molecule
Emp. Form.:
C9H9NS
Mol. Mass.:
163.239
SMILES:
S=C=NCCc1ccccc1
Structure:
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