| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 |
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| Ligand | BDBM50083911 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2232271 (CHEMBL5146043) |
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| Ki | 7.7±n/a nM |
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| Citation |  Golani, LK; Yeunus Mian, M; Ahmed, T; Pandey, KP; Mondal, P; Sharmin, D; Rezvanian, S; Witkin, JM; Cook, JM Rationalizing the binding and ? subtype selectivity of synthesized imidazodiazepines and benzodiazepines at GABAA receptors by using molecular docking studies. Bioorg Med Chem Lett62:0 (2022) [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-5/beta-2/gamma-2 |
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| Name: | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/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 2186858 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit beta-2 |
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| Synonyms: | GABA(A) receptor subunit beta-2 | GABRB2 | GBRB2_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59167.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_221 |
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| Residue: | 512 |
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| Sequence: | MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPV
AVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDT
YFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIES
YGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYPRLSLSFKLKR
NIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIP
YVKAIDMYLMGCFVFVFMALLEYALVNYIFFGRGPQRQKKAAEKAASANNEKMRLDVNKI
FYKDIKQNGTQYRSLWDPTGNLSPTRRTTNYDFSLYTMDPHENILLSTLEIKNEMATSEA
VMGLGDPRSTMLAYDASSIQYRKAGLPRHSFGRNALERHVAQKKSRLRRRASQLKITIPD
LTDVNAIDRWSRIFFPVVFSFFNIVYWLYYVN
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| Component 2 |
| 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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| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-5 |
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| Synonyms: | GABA receptor alpha-5 subunit | GABA(A) receptor subunit alpha-5 (GABAAa5) | GABRA5 | GBRA5_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) | Gamma-aminobutyric acid receptor subunit alpha-5 (GABAA) |
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| Type: | Enzyme |
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| Mol. Mass.: | 52160.59 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P31644 |
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| Residue: | 462 |
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| Sequence: | MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGY
DNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPL
NNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDF
PMDAHACPLKFGSYAYPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTS
TGEYTIMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTM
TTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKKALEAA
KIKKKREVILNKSTNAFTTGKMSHPPNIPKEQTPAGTSNTTSVSVKPSEEKTSESKKTYN
SISKIDKMSRIVFPVLFGTFNLVYWATYLNREPVIKGAASPK
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| BDBM50083911 |
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| n/a |
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| Name | BDBM50083911 |
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| Synonyms: | 7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one | CHEMBL368768 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H13BrN2O |
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| Mol. Mass. | 329.191 |
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| SMILES | CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:10| |
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| Structure | 
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