Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214661
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
67±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:
Human
Description:
ChEMBL_448071
Residue:
473
Sequence:
MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNRVDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRSLPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
  
Inhibitor
Name:
BDBM50214661
Synonyms:
4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-n-propyl-1H-1,2,3-triazole | CHEMBL395137
Type:
Small organic molecule
Emp. Form.:
C13H11Cl3F3N3
Mol. Mass.:
372.601
SMILES:
CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(.33,-36.35,;.81,-34.89,;-.22,-33.74,;.26,-32.27,;1.72,-31.8,;2.97,-32.71,;2.8,-34.24,;1.73,-30.26,;.26,-29.78,;-.64,-31.03,;-2.18,-31.02,;-2.94,-32.36,;-2.17,-33.69,;-4.48,-32.36,;-5.25,-31.02,;-4.48,-29.69,;-2.94,-29.69,;-2.17,-28.36,;-6.79,-31.02,;-8.35,-31.09,;-6.83,-29.48,;-6.74,-32.56,)|
Structure:
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