Reaction Details  Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3
Ligand
BDBM50457438
Substrate
n/a
Meas. Tech.
ChEMBL_1759706 (CHEMBL4194714)
IC50
4070±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-6/beta-3
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1759706
Components:
This complex has 2 components.
Component 1
Name:
Gamma-aminobutyric acid receptor subunit alpha-6
Synonyms:
GABA A Alpha6Beta3Gamma2 | GABA A receptor alpha-6/beta-2/gamma-2 | GABA receptor alpha-6 subunit | GBRA6_RAT | Gabra-6 | Gabra6 | Gamma-aminobutyric acid receptor subunit alpha-6
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51188.24
Organism:
RAT
Description:
GABA A Alpha6Beta2Gamma2 0 RAT::P30191
Residue:
453
Sequence:
MLLLLPWLFSLLWIENAQAQLEDEGNFYSENVSRILDNLLEGYDNRLRPGFGGAVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWTDERLKFKGPAEILSLNNLMVSKIWTPDTFFRNGKKSIAHNMTTPNKLFRLMHNGTILYTMRLTINADCPMRLVNFPMDGHACPLKFGSYAYPKSEIIYTWKKGPLYSVEVPEESSSLLQYDLIGQTVSSETIKSNTGEYVIMTVYFHLQRKMGYFMIQIYTPCIMTVILSQVSFWINKESVPARTVFGITTVLTMTTLSISARHSLPKVSYATAMDWFIAVCFAFVFSALIEFAAVNYFTNLQSQKAERQAQTAAKPPVAKSKTTESLEAEIVVHSDSKYHLKKRISSLTLPIVPSSEASKVLSRTPILPSTPVTPPLLLPAIGGTSKIDQYSRILFPVAFAGFNLVYWIVYLSKDTMEVSSTVE
  
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:
BDBM50457438
Synonyms:
CHEMBL4208971
Type:
Small organic molecule
Emp. Form.:
C22H20BrN3O2S
Mol. Mass.:
470.382
SMILES:
CCCCOc1ccc(cc1)C(=O)Nc1c(nc2ccc(Br)cn12)-c1cccs1
Structure:
Search PDB for entries with ligand similarity: