Reaction Details |
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Target | Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467] |
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Ligand | BDBM25882 |
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Substrate/Competitor | BDBM25878 |
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Meas. Tech. | Radioligand Binding Assay |
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Ki | 76.14±n/a nM |
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Citation | Han, D; Holger Försterling, F; Li, X; Deschamps, JR; Parrish, D; Cao, H; Rallapalli, S; Clayton, T; Teng, Y; Majumder, S; Sankar, S; Roth, BL; Sieghart, W; Furtmuller, R; Rowlett, JK; Weed, MR; Cook, JM A study of the structure-activity relationship of GABA(A)-benzodiazepine receptor bivalent ligands by conformational analysis with low temperature NMR and X-ray analysis. Bioorg Med Chem16:8853-62 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467] |
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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: | QKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVN
SIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKAD
AHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIV
YQWKRSSVEVGDTRSWRLYQFSFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQT
YIPCTLIVVLSWVSFWINKDAVPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFV
SVCFIFVFSALVEYGTLHYFVSNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQE
RDEEYGYECLDGKDCASFFCCFEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLV
YWVSYLYL
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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: | QSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLT
MYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHP
DGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVER
IELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSF
WINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYA
FVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNRVDAHGNILLTSLEVHNEMNEVSGGI
GDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRSLPHKKTHLRRRSSQLKIKIPDLTDV
NAIDRWSRIVFPFTFSLFNLVYWLYYVN
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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: | QMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTE
MEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNK
LLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSEVVYVWTNGSTK
SVVVAEDGSRLNQYHLMGQTVGTENISTSTGEYTIMTAHFHLKRKIGYFVIQTYLPCIMT
VILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFV
FSALIEFATVNYFTKRGWAWDGKKALEAAKIKKKREVILNKSTNAFTTGKMSHPPNIPKE
QTPAGTSNTTSVSVKPSEEKTSESKKTYNSISKIDKMSRIVFPVLFGTFNLVYWATYLNR
EPVIKGAASPK
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BDBM25882 |
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BDBM25878 |
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Name | BDBM25882 |
Synonyms: | XLi374, 5 | [({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)methoxy]methyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate |
Type | Small organic molecule |
Emp. Form. | C32H24N6O7 |
Mol. Mass. | 604.569 |
SMILES | CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCOCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C |
Structure |
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