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TargetGABA receptor alpha-1/beta-3/gamma-2 subunit
LigandBDBM50180001
Substrate/Competitorn/a
Meas. Tech.ChEMBL_329742
Ki 0.87±n/a nM
Citation Goodacre SCStreet LJHallett DJCrawforth JMKelly SOwens APBlackaby WPLewis RTStanley JSmith AJFerris PSohal BCook SMPike ABrown NWafford KAMarshall GCastro JLAtack JR Imidazo[1,2-a]pyrimidines as functionally selective and orally bioavailable GABA(A)alpha2/alpha3 binding site agonists for the treatment of anxiety disorders. J Med Chem 49:35-8 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
GABA receptor alpha-1/beta-3/gamma-2 subunit
Name:GABA receptor alpha-1/beta-3/gamma-2 subunit
Synonyms:GABA-A receptor; alpha-1/beta-3/gamma-2
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 312
Components:This complex has 3 components.
Component 1
Name:Gamma-aminobutyric acid receptor subunit alpha-1/ beta-1
Synonyms:GABA A Alpha1Beta1Gamma2 | GABA A Alpha1Beta2Gamma2 | GABA A Alpha1Beta3Gamma2 | GABA A Benzodiazepine brain | GABA A Benzodiazepine liver | GABA receptor alpha-1 subunit | GABA(A) receptor subunit alpha-1 | GABA-A | GABA-A receptor | Gamma-aminobutyric acid receptor subunit alpha (GABAA) | Gamma-aminobutyric acid receptor subunit alpha-1 | TBPS | agonist GABA site
Type:Protein
Mol. Mass.:51817.35
Organism:Homo sapiens (Human)
Description:P14867
Residue:456
Sequence:
MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPG
LGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASK
IWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHAC
PLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVM
TTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISA
RNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDP
LIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKID
RLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
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Component 2
Name:GABA A receptor alpha-2/beta-2/gamma-2
Synonyms:GABA(A) receptor subunit gamma-2 | Gamma-aminobutyric acid receptor subunit gamma-2
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 3
Name:Gamma-aminobutyric acid receptor subunit alpha-3/beta-3
Synonyms:GABA receptor beta-3 subunit | GABA-A receptor | 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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BDBM50180001
n/a
NameBDBM50180001
Synonyms:6,2-difluoro-5-(7-trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile | CHEMBL382412
TypeSmall organic molecule
Emp. Form.C20H9F5N4
Mol. Mass.400.3043
SMILESFc1ccc(cc1-c1c(F)cccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F |(23.41,-20.48,;22.93,-19.02,;21.42,-18.7,;20.94,-17.24,;21.96,-16.09,;23.46,-16.4,;23.95,-17.86,;25.46,-18.16,;25.95,-19.62,;24.93,-20.78,;27.46,-19.93,;28.48,-18.78,;27.98,-17.31,;26.48,-17.01,;25.98,-15.56,;25.49,-14.1,;21.48,-14.63,;22.38,-13.37,;21.46,-12.12,;19.99,-12.61,;18.66,-11.84,;17.33,-12.62,;17.32,-14.16,;18.66,-14.93,;20,-14.16,;15.99,-11.85,;14.65,-11.08,;16.76,-10.51,;15.23,-13.18,)|
Structure
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