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TargetGABA-A receptor; alpha-2/beta-3/gamma-2
LigandBDBM50418465
Substrate/Competitorn/a
Meas. Tech.ChEMBL_751257 (CHEMBL1787625)
Ki 14.45±n/a nM
Citation Alhambra, CBecker, CBlake, TChang, AHDamewood, JRDaniels, TDembofsky, BTGurley, DAHall, JEHerzog, KJHorchler, CLOhnmacht, CJSchmiesing, RJDudley, ARibadeneira, MDKnappenberger, KSMaciag, CStein, MMChopra, MLiu, XFChristian, EPArriza, JLChapdelaine, MJ Development and SAR of functionally selective allosteric modulators of GABAA receptors. Bioorg Med Chem19:2927-38 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
GABA-A receptor; alpha-2/beta-3/gamma-2
Name:GABA-A receptor; alpha-2/beta-3/gamma-2
Synonyms:GABA receptor alpha-2/beta-3/gamma-2 subunit | Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 2148174
Components:This complex has 3 components.
Component 1
Name:Gamma-aminobutyric acid receptor subunit gamma-2
Synonyms:GABA(A) receptor subunit gamma-2 | GABRG2 | GBRG2_HUMAN
Type:PROTEIN
Mol. Mass.:54172.74
Organism:Homo sapiens (Human)
Description:EBI_217
Residue:467
Sequence:
MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPK
VPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQT
WYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLY
TLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQF
SFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDA
VPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFV
SNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCC
FEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
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Component 2
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:
MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNR
VDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRS
LPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
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Component 3
Name:Gamma-aminobutyric acid receptor subunit alpha-2
Synonyms:GABA receptor alpha-2 subunit | GABRA2 | GBRA2_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-2 (GABRA2)
Type:Protein
Mol. Mass.:51338.78
Organism:Homo sapiens (Human)
Description:P47869
Residue:451
Sequence:
MKTKLNIYNMQFLLFVFLVWDPARLVLANIQEDEAKNNITIFTRILDRLLDGYDNRLRPG
LGDSITEVFTNIYVTSFGPVSDTDMEYTIDVFFRQKWKDERLKFKGPMNILRLNNLMASK
IWTPDTFFHNGKKSVAHNMTMPNKLLRIQDDGTLLYTMRLTVQAECPMHLEDFPMDAHSC
PLKFGSYAYTTSEVTYIWTYNASDSVQVAPDGSRLNQYDLLGQSIGKETIKSSTGEYTVM
TAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISA
RNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKSVVNDKKKEKASV
MIQNNAYAVAVANYAPNLSKDPVLSTISKSATTPEPNKKPENKPAEAKKTFNSVSKIDRM
SRIVFPVLFGTFNLVYWATYLNREPVLGVSP
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BDBM50418465
n/a
NameBDBM50418465
Synonyms:CHEMBL1783265
TypeSmall organic molecule
Emp. Form.C24H25N3O3
Mol. Mass.403.4736
SMILESCOc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC(C)C4)c3=O)[nH]c12 |(22.59,-18.14,;22.59,-16.6,;21.25,-15.83,;19.91,-16.61,;18.58,-15.83,;18.58,-14.29,;17.25,-13.52,;17.26,-11.98,;19.92,-13.54,;21.25,-14.29,;19.92,-12,;18.59,-11.23,;18.59,-9.68,;19.92,-8.91,;21.25,-9.67,;22.59,-8.89,;22.58,-7.35,;23.95,-9.66,;23.94,-11.22,;25.43,-11.71,;26.35,-10.44,;27.89,-10.45,;28.98,-11.54,;30.07,-10.45,;31.61,-10.45,;28.98,-9.36,;25.44,-9.18,;25.91,-7.71,;22.6,-12,;21.26,-11.23,)|
Structure
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