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Target
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
Ligand
BDBM50214673
Substrate
n/a
Meas. Tech.
ChEMBL_448069 (CHEMBL898324)
Ki
387±n/a nM
Citation
 Alam, MS; Huang, J; Ozoe, F; Matsumura, F; Ozoe, Y Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors. Bioorg Med Chem 15:5090-104 (2007) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
Synonyms:
GABA A receptor alpha-2/beta-2/gamma-2 | GABA receptor alpha-2/beta-2/gamma-2 subunit
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 69647
Components:
This complex has 3 components.
Component 1
Name:
Gamma-aminobutyric acid receptor subunit gamma-2
Synonyms:
GABA(A) receptor subunit gamma-2 | GABRG2 | GBRG2_HUMAN
Type:
PROTEIN
Mol. Mass.:
54172.74
Organism:
Homo sapiens (Human)
Description:
EBI_217
Residue:
467
Sequence:
MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPKVPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQFSFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDAVPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFVSNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCCFEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
  
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 alpha-2
Synonyms:
GABA receptor alpha-2 subunit | GABRA2 | GBRA2_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-2 (GABRA2)
Type:
Protein
Mol. Mass.:
51338.78
Organism:
Homo sapiens (Human)
Description:
P47869
Residue:
451
Sequence:
MKTKLNIYNMQFLLFVFLVWDPARLVLANIQEDEAKNNITIFTRILDRLLDGYDNRLRPGLGDSITEVFTNIYVTSFGPVSDTDMEYTIDVFFRQKWKDERLKFKGPMNILRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRIQDDGTLLYTMRLTVQAECPMHLEDFPMDAHSCPLKFGSYAYTTSEVTYIWTYNASDSVQVAPDGSRLNQYDLLGQSIGKETIKSSTGEYTVMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKSVVNDKKKEKASVMIQNNAYAVAVANYAPNLSKDPVLSTISKSATTPEPNKKPENKPAEAKKTFNSVSKIDRMSRIVFPVLFGTFNLVYWATYLNREPVLGVSP
  
Component 4
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
  
Inhibitor
Name:
BDBM50214673
Synonyms:
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxymethyl-4-n-propyl-1H-1,2,3-triazole | CHEMBL395136
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2F3N3O
Mol. Mass.:
354.155
SMILES:
CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)|
Structure:
Search PDB for entries with ligand similarity: