| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 |
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| Ligand | BDBM50162238 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303658 (CHEMBL829006) |
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| Ki | 17±n/a nM |
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| Citation |  Russell, MG; Carling, RW; Atack, JR; Bromidge, FA; Cook, SM; Hunt, P; Isted, C; Lucas, M; McKernan, RM; Mitchinson, A; Moore, KW; Narquizian, R; Macaulay, AJ; Thomas, D; Thompson, SA; Wafford, KA; Castro, JL Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4-triazolo[3,4-a]phthalazines as GABA A receptor agonists at the alpha3 subunit. J Med Chem48:1367-83 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 |
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| Name: | Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 |
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| Synonyms: | GABA receptor alpha-1/beta-3/gamma-2 subunit | GABA-A receptor; alpha-1/beta-3/gamma-2 | GABAA alpha1beta3gamma2 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Synonyms: | Benzodiazepine central | GABA A Benzodiazepine brain | GABA A Benzodiazepine liver | GABA receptor alpha-1 subunit | GABA(A) receptor subunit alpha-1 | GABA-A | GABA-A receptor | GABRA1 | GBRA1_HUMAN | Gamma-aminobutyric acid receptor subunit alpha (GABAA) | TBPS | agonist GABA site |
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| Type: | Protein |
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| Mol. Mass.: | 51817.35 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14867 |
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| Residue: | 456 |
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| Sequence: | MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPG
LGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASK
IWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHAC
PLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVM
TTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISA
RNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDP
LIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKID
RLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
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| Component 2 |
| Name: | Gamma-aminobutyric acid receptor subunit beta-3 |
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| Synonyms: | GABA A receptor alpha-4/beta-3/gamma-2 | GABA receptor beta-3 subunit | GABA-A receptor | GABRB3 | GBRB3_HUMAN | agonist GABA site |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54130.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_448071 |
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| Residue: | 473 |
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| Sequence: | MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNR
VDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRS
LPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
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| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit gamma-2 |
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| Synonyms: | GABA(A) receptor subunit gamma-2 | GABRG2 | GBRG2_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54172.74 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_217 |
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| Residue: | 467 |
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| Sequence: | MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPK
VPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQT
WYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLY
TLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQF
SFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDA
VPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFV
SNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCC
FEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
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| BDBM50162238 |
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| n/a |
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| Name | BDBM50162238 |
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| Synonyms: | 9-(3-methoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene | CHEMBL180416 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H23N5O2 |
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| Mol. Mass. | 413.4717 |
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| SMILES | COc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.46,-4.68,;-2.12,-3.94,;-.79,-4.71,;-.79,-6.23,;.56,-7,;1.88,-6.23,;1.87,-4.71,;.56,-3.94,;.56,-2.42,;-.79,-1.64,;-.79,-.1,;.54,.67,;.54,2.21,;1.71,3.29,;1.08,4.65,;-.46,4.49,;-.79,2.98,;-2.12,2.21,;-3.46,2.89,;-2.81,1.44,;-4.4,1.44,;-3.45,-.1,;-4.79,.67,;-4.79,2.21,;-2.12,.67,;3.23,2.98,;3.72,1.54,;5.24,1.23,;6.24,2.38,;5.74,3.85,;4.22,4.15,)| |
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| Structure | 
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