Reaction Details |
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Target | Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 |
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Ligand | BDBM50142561 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_70403 (CHEMBL680430) |
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Ki | 3.1±n/a nM |
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Citation | Crawforth, J; Atack, JR; Cook, SM; Gibson, KR; Nadin, A; Owens, AP; Pike, A; Rowley, M; Smith, AJ; Sohal, B; Sternfeld, F; Wafford, K; Street, LJ Tricyclic pyridones as functionally selective human GABAA alpha 2/3 receptor-ion channel ligands. Bioorg Med Chem Lett14:1679-82 (2004) [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-3/beta-3/gamma-2 |
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Name: | Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 |
Synonyms: | GABA receptor alpha-3/beta-3/gamma-2 subunit | GABA-A receptor; alpha-3/beta-3/gamma-2 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 68410 |
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-3 |
Synonyms: | GABA A Alpha3Beta3Gamma2 | GABA A receptor alpha-3/beta-2/gamma-2 | GABA C | GABA receptor alpha-3 subunit | GABA-A receptor | GABRA3 | GBRA3_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-3 | agonist GABA site |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 55175.47 |
Organism: | Homo sapiens (Human) |
Description: | GABA A Alpha3Beta1Gamma2 0 HUMAN::P34903 |
Residue: | 492 |
Sequence: | MIITQTSHCYMTSLGILFLINILPGTTGQGESRRQEPGDFVKQDIGGLSPKHAPDIPDDS
TDNITIFTRILDRLLDGYDNRLRPGLGDAVTEVKTDIYVTSFGPVSDTDMEYTIDVFFRQ
TWHDERLKFDGPMKILPLNNLLASKIWTPDTFFHNGKKSVAHNMTTPNKLLRLVDNGTLL
YTMRLTIHAECPMHLEDFPMDVHACPLKFGSYAYTTAEVVYSWTLGKNKSVEVAQDGSRL
NQYDLLGHVVGTEIIRSSTGEYVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLN
RESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVN
YFTKRSWAWEGKKVPEALEMKKKTPAAPAKKTSTTFNIVGTTYPINLAKDTEFSTISKGA
APSASSTPTIIASPKATYVQDSPTETKTYNSVSKVDKISRIIFPVLFAIFNLVYWATYVN
RESAIKGMIRKQ
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BDBM50142561 |
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n/a |
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Name | BDBM50142561 |
Synonyms: | 11-(3,5-Dimethyl-isoxazol-4-yl)-9-(4-methyl-thiazol-2-yl)-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one | CHEMBL44320 |
Type | Small organic molecule |
Emp. Form. | C22H20N4O2S |
Mol. Mass. | 404.485 |
SMILES | Cc1csc(n1)-c1cc(-c2c(C)noc2C)c2-c3cnccc3CCCn2c1=O |(17.68,4.83,;16.14,4.98,;15.37,6.31,;13.87,6,;13.71,4.46,;15.11,3.83,;12.38,3.67,;12.38,2.13,;11.04,1.36,;11.06,-.17,;12.31,-1.08,;13.78,-.61,;11.84,-2.56,;10.3,-2.56,;9.8,-1.08,;8.47,-1.86,;9.71,2.13,;8.51,1.17,;8.96,-.29,;7.93,-1.41,;6.41,-1.08,;5.97,.39,;7.01,1.51,;6.34,2.89,;7.01,4.29,;8.51,4.63,;9.71,3.67,;11.04,4.44,;11.04,6,)| |
Structure |
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