Target
Cytochrome P450 2B6
Ligand
BDBM50380510
Substrate
n/a
Meas. Tech.
ChEMBL_813099 (CHEMBL2020718)
IC50
2000±n/a nM
Citation
 Foti, RSRock, DAHan, XFlowers, RAWienkers, LCWahlstrom, JL Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19. J Med Chem 55:1205-14 (2012) [PubMed]  Article 
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:
BDBM50380510
Synonyms:
CHEMBL2018925
Type:
Small organic molecule
Emp. Form.:
C21H18N2O2S
Mol. Mass.:
362.445
SMILES:
COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1
Structure:
Search PDB for entries with ligand similarity: