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Target
Cytochrome P450 2B6
Ligand
BDBM50531908
Substrate
n/a
Meas. Tech.
ChEMBL_1921480 (CHEMBL4424325)
IC50
>30000±n/a nM
Citation
 Guerrero, M; Urbano, M; Kim, EK; Gamo, AM; Riley, S; Abgaryan, L; Leaf, N; Van Orden, LJ; Brown, SJ; Xie, JY; Porreca, F; Cameron, MD; Rosen, H; Roberts, E Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140). J Med Chem 62:1761-1780 (2019) [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:
BDBM50531908
Synonyms:
Btrx-335140 | CYM-53093 | US10676469, Compound 142 | US11124504, Cpd. No. 142
Type:
Small organic molecule
Emp. Form.:
C25H32FN5O2
Mol. Mass.:
453.5523
SMILES:
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Structure:
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