Reaction Details Report a problem with these data
Target
Cytochrome P450 2B6
Ligand
BDBM50467105
Substrate
n/a
Meas. Tech.
ChEMBL_1794900 (CHEMBL4267017)
IC50
14900±n/a nM
Citation
 Graham, J; Wong, CE; Day, J; McFaddin, E; Ochsner, U; Hoang, T; Young, CL; Ribble, W; DeGroote, MA; Jarvis, T; Sun, X Discovery of benzothiazole amides as potent antimycobacterial agents. Bioorg Med Chem Lett 28:3177-3181 (2018) [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:
BDBM50467105
Synonyms:
CHEMBL4295138
Type:
Small organic molecule
Emp. Form.:
C17H21ClN2OS
Mol. Mass.:
336.879
SMILES:
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Cl)cc2s1
Structure:
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