Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214653
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
47±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:
BDBM50214653
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5-n-propyl-1H-1,2,3-triazole | CHEMBL235405
Type:
Small organic molecule
Emp. Form.:
C14H14Cl2F3N3
Mol. Mass.:
352.182
SMILES:
CCCc1c(CC)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.13,-18.44,;14.61,-16.98,;13.58,-15.83,;14.06,-14.37,;15.53,-13.9,;16.77,-14.81,;16.61,-16.34,;15.54,-12.36,;14.07,-11.88,;13.17,-13.12,;11.63,-13.12,;10.87,-14.45,;11.64,-15.78,;9.33,-14.46,;8.55,-13.12,;9.33,-11.78,;10.86,-11.79,;11.64,-10.45,;7.01,-13.12,;5.46,-13.19,;6.98,-11.58,;7.06,-14.66,)|
Structure:
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