Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214666
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
539±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:
BDBM50214666
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-5-n-propyl-1H-1,2,3-triazole | CHEMBL428023
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2F3N3
Mol. Mass.:
338.156
SMILES:
CCCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.49,-9,;14.97,-7.54,;13.94,-6.39,;14.42,-4.93,;15.89,-4.45,;17.13,-5.36,;15.89,-2.91,;14.43,-2.43,;13.52,-3.68,;11.98,-3.68,;11.22,-5.01,;12,-6.34,;9.69,-5.01,;8.91,-3.67,;9.68,-2.34,;11.22,-2.34,;12,-1.01,;7.37,-3.68,;5.82,-3.74,;7.34,-2.14,;7.42,-5.21,)|
Structure:
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