Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-3
Ligand
BDBM50214665
Substrate
n/a
Meas. Tech.
ChEMBL_448071 (CHEMBL898326)
Ki
14±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:
BDBM50214665
Synonyms:
1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4-n-propyl-1H-1,2,3-triazole | CHEMBL396305
Type:
Small organic molecule
Emp. Form.:
C13H12Br2F3N3
Mol. Mass.:
427.058
SMILES:
CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)|
Structure:
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