| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-3 [26-473]/gamma-2 [40-467] |
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| Ligand | BDBM25884 |
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| Substrate/Competitor | BDBM25878 |
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| Meas. Tech. | Radioligand Binding Assay |
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| pH | 7.4±n/a |
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| Temperature | 277.15±n/a K |
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| Ki | 460±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-1 [28-456]/beta-3 [26-473]/gamma-2 [40-467] |
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| Name: | Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-3 [26-473]/gamma-2 [40-467] |
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| Synonyms: | GABAA Receptor, alpha-1, beta-3, gamma-2 |
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| Type: | Protein Complex |
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| Mol. Mass.: | n/a |
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| Description: | Cell membranes from HEK cells transfected with GABAA beta-3, gamma-2, and alpha-1 were used in binding assays. |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit gamma-2 [40-467] |
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| Synonyms: | GABA(A) receptor subunit gamma-2 | GABAA Receptor Subunit gamma-2 | GABRG2 | GBRG2_HUMAN | Gamma-aminobutyric acid receptor subunit gamma-2 |
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| Type: | Ionic channel |
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| Mol. Mass.: | 49862.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P18507[40-467] |
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| Residue: | 428 |
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| 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] |
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| Synonyms: | GABA(A) receptor subunit beta-3 | GABAA Receptor Subunit beta-3 | GABRB3 | GBRB3_HUMAN | Gamma-aminobutyric acid receptor subunit beta-3 |
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| Type: | Ionic channel |
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| Mol. Mass.: | 51609.41 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P28472[26-473] |
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| Residue: | 448 |
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| Sequence: | QSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDYTLT
MYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHP
DGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGGDKAVTGVER
IELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLKRNIGYFILQTYMPSILITILSWVSF
WINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYA
FVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNRVDAHGNILLTSLEVHNEMNEVSGGI
GDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRSLPHKKTHLRRRSSQLKIKIPDLTDV
NAIDRWSRIVFPFTFSLFNLVYWLYYVN
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| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-1 [28-456] |
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| Synonyms: | GABA(A) receptor subunit alpha-1 | GABAA Receptor Subunit alpha-1 | GABRA1 | GBRA1_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Type: | Ionic channel |
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| Mol. Mass.: | 48807.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14867[28-456] |
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| Residue: | 429 |
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| Sequence: | QPSLQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEY
TIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLR
ITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTREPARSVV
VAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVMTTHFHLKRKIGYFVIQTYLPCIMTVIL
SQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSA
LIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDPLIKKNNTYAPTATSYTPNLARGDPGLA
TIAKSATIEPKEVKPETKPPEPKKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNREP
QLKAPTPHQ
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| BDBM25884 |
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| BDBM25878 |
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| Name | BDBM25884 |
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| Synonyms: | 2-[2-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaen-5-yl}carbonyloxy)ethoxy]ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxylate | dm-III-96, 7 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H32N6O5 |
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| Mol. Mass. | 724.7621 |
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| SMILES | O=C(OCCOCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:18,44| |
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| Structure | 
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