Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-1/beta-2
Ligand
BDBM50462449
Substrate
n/a
Meas. Tech.
ChEMBL_1775527 (CHEMBL4232519)
EC50
>100000±n/a nM
Citation
 Sowaileh, MF; Salyer, AE; Roy, KK; John, JP; Woods, JR; Doerksen, RJ; Hockerman, GH; Colby, DA Agonists of the ?-aminobutyric acid type B (GABA Bioorg Med Chem Lett 28:2697-2700 (2018) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid receptor subunit beta-1/beta-2
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1775527
Components:
This complex has 2 components.
Component 1
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 2
Name:
Gamma-aminobutyric acid receptor subunit beta-1
Synonyms:
GABA A receptor alpha-1/beta-1/gamma-2 | GABA(A) receptor subunit beta-1 | GABRB1 | GBRB1_HUMAN | Gamma-aminobutyric acid receptor subunit beta-1
Type:
PROTEIN
Mol. Mass.:
54244.51
Organism:
Homo sapiens (Human)
Description:
EBI_11217
Residue:
474
Sequence:
MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLKRNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKIPYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQVDAHGNILLSTLEIRNETSGSEVLTSVSDPKATMYSYDSASIQYRKPLSSREAYGRALDRHGVPSKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
  
Inhibitor
Name:
BDBM50462449
Synonyms:
CHEMBL4247210
Type:
Small organic molecule
Emp. Form.:
C25H27F2NO3S
Mol. Mass.:
459.549
SMILES:
FC(F)(C(NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Structure:
Search PDB for entries with ligand similarity: