Reaction Details Report a problem with these data
Target
Cytochrome P450 2B6
Ligand
BDBM224811
Substrate
US9333197, Bupropion
Meas. Tech.
Inhibition Assay
IC50
19200±n/a nM
Citation
 Notte, G Apoptosis signal-regulating kinase inhibitor US Patent  US9333197 Publication Date 5/10/2016 
Target
Name:
Cytochrome P450 2B6
Synonyms:
CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6)
Type:
Protein
Mol. Mass.:
56289.75
Organism:
Homo sapiens (Human)
Description:
P20813
Residue:
491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR
  
Inhibitor
Name:
BDBM224811
Synonyms:
US9333197, Hydroxybupropion
Type:
Small organic molecule
Emp. Form.:
C13H18ClNO2
Mol. Mass.:
255.741
SMILES:
CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM50048392
Synonyms:
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | BUPROPION | BUPROPION HYDROCHLORIDE | CHEMBL894 | US9944618, Compound ID No. 176
Type:
Small organic molecule
Emp. Form.:
C13H18ClNO
Mol. Mass.:
239.741
SMILES:
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: