Reaction Details |
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Target | Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-1 |
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Ligand | BDBM643750 |
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Substrate/Competitor | n/a |
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Ki | 6.60±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-1/beta-2/gamma-1 |
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Name: | Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-1 |
Synonyms: | GABAA alpha1beta2gamma1 |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 3 components. |
Component 1 |
Name: | Gamma-aminobutyric acid receptor subunit alpha-1 |
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 |
Type: | Protein |
Mol. Mass.: | 51817.35 |
Organism: | Homo sapiens (Human) |
Description: | P14867 |
Residue: | 456 |
Sequence: | MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPG
LGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASK
IWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHAC
PLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVM
TTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISA
RNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDP
LIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKID
RLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
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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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BDBM643750 |
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n/a |
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Name | BDBM643750 |
Synonyms: | (4S)-7-chloro-6-(2,6-difluorophenyl)-8-iodo-1,4-dimethyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | US20240002393, Example 102 |
Type | Small organic molecule |
Emp. Form. | C18H12ClF2IN4 |
Mol. Mass. | 484.669 |
SMILES | C[C@@H]1N=C(c2c(F)cccc2F)c2c(Cl)c(I)ccc2-n2c(C)nnc12 |r,t:2| |
Structure |
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