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Target
Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467]
Ligand
BDBM649920
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
32.0±n/a nM
Citation
 SZABÓ, G; ILKEI, V; VARRÓ, G; POTOR, A; KAPUS, GL 1,3-DIHYDRO-2H-PYRROLO[3,4-C]PYRIDINE DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS US Patent  US20240043418 Publication Date 2/8/2024 
Target
Name:
Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467]
Synonyms:
GABAA Receptor, alpha-5, beta-3, gamma-2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
Cell membranes from HEK cells transfected with GABAA beta-3, gamma-2, and alpha-5 were used in binding assays.
Components:
This complex has 3 components.
Component 1
Name:
Gamma-aminobutyric acid receptor subunit gamma-2 [40-467]
Synonyms:
GABA(A) receptor subunit gamma-2 | GABAA Receptor Subunit gamma-2 | GABRG2 | GBRG2_HUMAN | Gamma-aminobutyric acid receptor subunit gamma-2
Type:
Ionic channel
Mol. Mass.:
49862.76
Organism:
Homo sapiens (Human)
Description:
P18507[40-467]
Residue:
428
Sequence:
QKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQFSFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDAVPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFVSNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCCFEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
  
Component 2
Name:
Gamma-aminobutyric acid receptor subunit beta-3 [26-473]
Synonyms:
GABA(A) receptor subunit beta-3 | GABAA Receptor Subunit beta-3 | GABRB3 | GBRB3_HUMAN | Gamma-aminobutyric acid receptor subunit beta-3
Type:
Ionic channel
Mol. Mass.:
51609.41
Organism:
Homo sapiens (Human)
Description:
P28472[26-473]
Residue:
448
Sequence:
QSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNRVDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRSLPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
  
Component 3
Name:
Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]
Synonyms:
GABA(A) receptor subunit alpha-5 | GABAA Receptor Subunit alpha-5 | GABRA5 | GBRA5_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-5
Type:
Ionic channel
Mol. Mass.:
48674.94
Organism:
Homo sapiens (Human)
Description:
P31644[32-462]
Residue:
431
Sequence:
QMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTSTGEYTIMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKKALEAAKIKKKREVILNKSTNAFTTGKMSHPPNIPKEQTPAGTSNTTSVSVKPSEEKTSESKKTYNSISKIDKMSRIVFPVLFGTFNLVYWATYLNREPVIKGAASPK
  
Inhibitor
Name:
BDBM649920
Synonyms:
1-(6-{[4-(4-fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl]methoxy}-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)ethanone | US20240043418, Example 2
Type:
Small organic molecule
Emp. Form.:
C19H18FN5O2
Mol. Mass.:
367.3769
SMILES:
CC(=O)N1Cc2cnc(OCc3c(nnn3C)-c3ccc(F)cc3)cc2C1
Structure:
Search PDB for entries with ligand similarity: