Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1
Ligand
BDBM643750
Substrate
n/a
Meas. Tech.
Binding Assay for γ2-Containing GABAA Subtypes
Ki
0.800±n/a nM
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 
Target
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:
MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGYDNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPLNNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDFPMDAHACPLKFGSYAYPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTSTGEYTIMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKKALEAAKIKKKREVILNKSTNAFTTGKMSHPPNIPKEQTPAGTSNTTSVSVKPSEEKTSESKKTYNSISKIDKMSRIVFPVLFGTFNLVYWATYLNREPVIKGAASPK
  
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:
MWRVRKRGYFGIWSFPLIIAAVCAQSVNDPSNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMDYTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYPRLSLSFKLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFMALLEYALVNYIFFGRGPQRQKKAAEKAASANNEKMRLDVNKIFYKDIKQNGTQYRSLWDPTGNLSPTRRTTNYDFSLYTMDPHENILLSTLEIKNEMATSEAVMGLGDPRSTMLAYDASSIQYRKAGLPRHSFGRNALERHVAQKKSRLRRRASQLKITIPDLTDVNAIDRWSRIFFPVVFSFFNIVYWLYYVN
  
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:
MGPLKAFLFSPFLLRSQSRGVRLVFLLLTLHLGNCVDKADDEDDEDLTVNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWNDGRVLYTLRLTINAECYLQLHNFPMDEHSCPLEFSSYGYPKNEIEYKWKKPSVEVADPKYWRLYQFAFVGLRNSTEITHTISGDYVIMTIFFDLSRRMGYFTIQTYIPCILTVVLSWVSFWINKDAVPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFAALMEYGTLHYFTSNQKGKTATKDRKLKNKASMTPGLHPGSTLIPMNNISVPQEDDYGYQCLEGKDCASFFCCFEDCRTGSWREGRIHIRIAKIDSYSRIFFPTAFALFNLVYWVGYLYL
  
Inhibitor
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:
Search PDB for entries with ligand similarity: