Reaction Details |
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Target | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 |
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Ligand | BDBM643738 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Binding Assay for γ2-Containing GABAA Subtypes |
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Ki | 3.60±n/a nM |
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Citation | CECERE, G; GOBBI, L; HERNANDEZ, M; KNOFLACH, F; KOBLET, A; O''CONNOR, EC; OLIVARES MORALES, AM; REUTLINGER, M; RUNTZ-SCHMITT, V; WAMSTEEKER CUSULIN, JI; ZORN, N SUBSTITUTED BENZO[f][l ,2,4JTRIAZOL0[4,3-a][l ,4JDIAZEPINES AS GABA A GAMMA! POSITIVE ALLOSTERIC MODULATORS US Patent US20240002393 Publication Date 1/4/2024 |
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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-1 |
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Name: | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1 |
Synonyms: | GABAA alpha5Beta2gamma1 |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 3 components. |
Component 1 |
Name: | Gamma-aminobutyric acid receptor subunit alpha-5 |
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) |
Type: | Enzyme |
Mol. Mass.: | 52160.59 |
Organism: | Homo sapiens (Human) |
Description: | P31644 |
Residue: | 462 |
Sequence: | MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGY
DNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPL
NNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDF
PMDAHACPLKFGSYAYPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTS
TGEYTIMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTM
TTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKKALEAA
KIKKKREVILNKSTNAFTTGKMSHPPNIPKEQTPAGTSNTTSVSVKPSEEKTSESKKTYN
SISKIDKMSRIVFPVLFGTFNLVYWATYLNREPVIKGAASPK
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Component 2 |
Name: | Gamma-aminobutyric acid receptor subunit beta-2 |
Synonyms: | GABA(A) receptor subunit beta-2 | GABRB2 | GBRB2_HUMAN |
Type: | PROTEIN |
Mol. Mass.: | 59167.91 |
Organism: | Homo sapiens (Human) |
Description: | EBI_221 |
Residue: | 512 |
Sequence: | MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPV
AVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDT
YFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIES
YGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYPRLSLSFKLKR
NIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIP
YVKAIDMYLMGCFVFVFMALLEYALVNYIFFGRGPQRQKKAAEKAASANNEKMRLDVNKI
FYKDIKQNGTQYRSLWDPTGNLSPTRRTTNYDFSLYTMDPHENILLSTLEIKNEMATSEA
VMGLGDPRSTMLAYDASSIQYRKAGLPRHSFGRNALERHVAQKKSRLRRRASQLKITIPD
LTDVNAIDRWSRIFFPVVFSFFNIVYWLYYVN
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Component 3 |
Name: | Gamma-aminobutyric acid receptor subunit gamma-1 |
Synonyms: | GABA(A) receptor subunit gamma-1 |
Type: | Protein |
Mol. Mass.: | 53602.97 |
Organism: | Human |
Description: | Q8N1C3 |
Residue: | 465 |
Sequence: | MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIH
EGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWF
DSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTL
RLTINAECYLQLHNFPMDEHSCPLEFSSYGYPKNEIEYKWKKPSVEVADPKYWRLYQFAF
VGLRNSTEITHTISGDYVIMTIFFDLSRRMGYFTIQTYIPCILTVVLSWVSFWINKDAVP
ARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFAALMEYGTLHYFTSN
QKGKTATKDRKLKNKASMTPGLHPGSTLIPMNNISVPQEDDYGYQCLEGKDCASFFCCFE
DCRTGSWREGRIHIRIAKIDSYSRIFFPTAFALFNLVYWVGYLYL
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BDBM643738 |
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n/a |
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Name | BDBM643738 |
Synonyms: | (4S)-7-bromo-8-chloro-6-(2,6-difluorophenyl)-4-methyl-1-(6-methylpyridazin-3-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | US20240002393, Example 88 |
Type | Small organic molecule |
Emp. Form. | C22H14BrClF2N6 |
Mol. Mass. | 515.741 |
SMILES | C[C@@H]1N=C(c2c(F)cccc2F)c2c(Br)c(Cl)ccc2-n2c1nnc2-c1ccc(C)nn1 |r,t:2| |
Structure |
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