Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214662
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
7.1±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:
BDBM50214662
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5-methyl-1H-1,2,3-triazole | CHEMBL392035
Type:
Small organic molecule
Emp. Form.:
C12H10Cl2F3N3
Mol. Mass.:
324.129
SMILES:
CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(2.91,.76,;3.08,2.29,;1.83,3.2,;1.84,4.74,;.37,5.22,;-.53,3.97,;.37,2.73,;-.11,1.26,;-2.07,3.98,;-2.83,2.64,;-2.06,1.31,;-4.37,2.64,;-5.14,3.98,;-4.37,5.31,;-2.83,5.31,;-2.06,6.64,;-6.68,3.98,;-8.24,3.91,;-6.72,5.52,;-6.63,2.44,)|
Structure:
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