Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214651
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
3450±n/a nM
Citation
 Alam, MS; Huang, J; Ozoe, F; Matsumura, F; Ozoe, Y Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors. Bioorg Med Chem 15:5090-104 (2007) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid receptor subunit beta-3
Synonyms:
GABA A receptor alpha-4/beta-3/gamma-2 | GABA receptor beta-3 subunit | GABA-A receptor | GABRB3 | GBRB3_HUMAN | agonist GABA site
Type:
PROTEIN
Mol. Mass.:
54130.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_448071
Residue:
473
Sequence:
MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNRVDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRSLPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
  
Inhibitor
Name:
BDBM50214651
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxymethyl-5-n-propyl-1H-1,2,3-triazole | CHEMBL235407
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2F3N3O
Mol. Mass.:
354.155
SMILES:
CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)|
Structure:
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