Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214648
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
128±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:
BDBM50214648
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-npropyl-1H-1,2,3-triazole | CHEMBL235406
Type:
Small organic molecule
Emp. Form.:
C15H16Cl2F3N3
Mol. Mass.:
366.209
SMILES:
CCCc1nnn(c1CCC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.47,-16.5,;31.22,-15.59,;31.39,-14.06,;30.14,-13.15,;30.15,-11.61,;28.68,-11.13,;27.78,-12.38,;28.68,-13.62,;28.2,-15.09,;29.23,-16.23,;28.75,-17.7,;26.24,-12.37,;25.48,-13.71,;26.25,-15.04,;23.94,-13.71,;23.17,-12.37,;23.94,-11.04,;25.48,-11.04,;26.25,-9.71,;21.63,-12.37,;20.07,-12.44,;21.59,-10.83,;21.68,-13.91,)|
Structure:
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