Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
LigandBDBM50105784
Substrate/Competitorn/a
Meas. Tech.ChEMBL_68715 (CHEMBL682645)
EC50 4100±n/a nM
Citation Anderson, ABelelli, DBennett, DJBuchanan, KICasula, ACooke, AFeilden, HGemmell, DKHamilton, NMHutchinson, EJLambert, JJMaidment, MSMcGuire, RMcPhail, PMiller, SMuntoni, APeters, JASansbury, FHStevenson, DSundaram, H Alpha-amino acid phenolic ester derivatives: novel water-soluble general anesthetic agents which allosterically modulate GABA(A) receptors. J Med Chem44:3582-91 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
Name:Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
Synonyms:GABA receptor alpha-1/beta-3/gamma-2 subunit | GABA-A receptor; alpha-1/beta-3/gamma-2 | GABAA alpha1beta3gamma2
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Gamma-aminobutyric acid receptor subunit beta-3
Synonyms:GABA A receptor alpha-4/beta-3/gamma-2 | GABA receptor beta-3 subunit | GABA-A receptor | GABRB3 | GBRB3_HUMAN | agonist GABA site
Type:PROTEIN
Mol. Mass.:54130.51
Organism:Homo sapiens (Human)
Description:ChEMBL_448071
Residue:473
Sequence:
MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNR
VDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRS
LPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
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:
MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPK
VPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQT
WYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLY
TLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQF
SFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDA
VPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFV
SNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCC
FEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50105784
n/a
NameBDBM50105784
Synonyms:2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid 2,6-dimethoxy-phenyl ester | CHEMBL331192
TypeSmall organic molecule
Emp. Form.C20H23NO4
Mol. Mass.341.4009
SMILESCOc1cccc(OC)c1OC(=O)[C@@H](C)N1CCc2ccccc2C1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: