| 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 | BDBM50459892 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1767479 (CHEMBL4219591) |
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| Ki | 850±n/a nM |
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| Citation |  Sparling, BA; DiMauro, EF Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors. Bioorg Med Chem Lett27:3207-3218 (2017) [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: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1759682 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit gamma-2 |
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| Synonyms: | GBRG2_RAT | Gabrg2 | Gamma-aminobutyric acid receptor subunit gamma-2 (GABA(A) gamma-2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 54087.63 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P18508 |
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| Residue: | 466 |
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| Sequence: | MSSPNTWSTGSTVYSPVFSQKMTLWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPKV
PEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTW
YDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYT
LRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQFS
FVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDAV
PARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFVS
NRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCCF
EDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
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| Component 2 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-1 |
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| Synonyms: | Benzodiazepine central | Benzodiazepine receptors | GABA A Benzodiazepine | GABA A Benzodiazepine Type I | GABA A Benzodiazepine Type II | GABA A Benzodiazepine Type IIL | GABA A Benzodiazepine Type IIM | GABA A Benzodiazepine omega1 | GABA A Benzodiazepine omega2 | GABA A Benzodiazepine omega5 | GABA A alpha1 | GABA A anti-Alpha1 | GABA receptor alpha-1 subunit | GABA, Chloride, TBOB | GABA-PICROTOXIN | GBRA1_RAT | Gabra-1 | Gabra1 | TBPS |
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| Type: | Enzyme |
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| Mol. Mass.: | 51770.21 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P62813 |
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| Residue: | 455 |
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| Sequence: | MKKSRGLSDYLWAWTLILSTLSGRSYGQPSQDELKDNTTVFTRILDRLLDGYDNRLRPGL
GERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKI
WTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACP
LKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVMT
THFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISAR
NSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDPL
IKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKIDR
LSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
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| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit beta-3 |
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| Synonyms: | GABA receptor beta-3 subunit | GBRB3_RAT | Gabrb-3 | Gabrb3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54180.66 |
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| Organism: | Rattus norvegicus |
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| Description: | EBI_12481 |
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| Residue: | 473 |
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| Sequence: | MWGFAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSEINR
VDAHGNILLAPMDVHNEMNEVAGSVGDTRNSAISFDNSGIQYRKQSMPKEGHGRYMGDRS
IPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
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| BDBM50459892 |
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| n/a |
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| Name | BDBM50459892 |
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| Synonyms: | CHEMBL4228824 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H17FN4O |
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| Mol. Mass. | 372.395 |
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| SMILES | CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12| |
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| Structure | 
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