Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3
Ligand
BDBM50457439
Substrate
n/a
Meas. Tech.
ChEMBL_1759681 (CHEMBL4194689)
EC50
100±n/a nM
Citation
 Yakoub, K; Jung, S; Sattler, C; Damerow, H; Weber, J; Kretzschmann, A; Cankaya, AS; Piel, M; Rösch, F; Haugaard, AS; Frølund, B; Schirmeister, T; Lüddens, H Structure-Function Evaluation of Imidazopyridine Derivatives Selective for ?-Subunit-Containing ?-Aminobutyric Acid Type A (GABA J Med Chem 61:1951-1968 (2018) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1759681
Components:
This complex has 2 components.
Component 1
Name:
Gamma-aminobutyric acid receptor subunit alpha-1
Synonyms:
Benzodiazepine central | Benzodiazepine receptors | GABA A Benzodiazepine | GABA A Benzodiazepine Type I | GABA A Benzodiazepine Type II | GABA A Benzodiazepine Type IIL | GABA A Benzodiazepine Type IIM | GABA A Benzodiazepine omega1 | GABA A Benzodiazepine omega2 | GABA A Benzodiazepine omega5 | GABA A alpha1 | GABA A anti-Alpha1 | GABA receptor alpha-1 subunit | GABA, Chloride, TBOB | GABA-PICROTOXIN | GBRA1_RAT | Gabra-1 | Gabra1 | TBPS
Type:
Enzyme
Mol. Mass.:
51770.21
Organism:
Rattus norvegicus (Rat)
Description:
P62813
Residue:
455
Sequence:
MKKSRGLSDYLWAWTLILSTLSGRSYGQPSQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDPLIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
  
Component 2
Name:
Gamma-aminobutyric acid receptor subunit beta-3
Synonyms:
GABA receptor beta-3 subunit | GBRB3_RAT | Gabrb-3 | Gabrb3
Type:
PROTEIN
Mol. Mass.:
54180.66
Organism:
Rattus norvegicus
Description:
EBI_12481
Residue:
473
Sequence:
MWGFAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSEINRVDAHGNILLAPMDVHNEMNEVAGSVGDTRNSAISFDNSGIQYRKQSMPKEGHGRYMGDRSIPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
  
Inhibitor
Name:
BDBM50457439
Synonyms:
CHEMBL4213357
Type:
Small organic molecule
Emp. Form.:
C18H10Br2ClN3OS
Mol. Mass.:
511.618
SMILES:
Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Structure:
Search PDB for entries with ligand similarity: