Reaction Details  Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit alpha-1
Ligand
BDBM126720
Substrate
n/a
Meas. Tech.
ChEBML_1717041
IC50
479±n/a nM
Citation
 Keri, RS; Chand, K; Budagumpi, S; Balappa Somappa, S; Patil, SA; Nagaraja, BM An overview of benzo[b]thiophene-based medicinal chemistry. Eur J Med Chem 138:1002-1033 (2017) [PubMed]  Article
Target
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:
MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGYAWDGKSVVPEKPKKVKDPLIKKNNTYAPTATSYTPNLARGDPGLATIAKSATIEPKEVKPETKPPEPKKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNREPQLKAPTPHQ
  
Inhibitor
Name:
BDBM126720
Synonyms:
US8778932, 31
Type:
Small organic molecule
Emp. Form.:
C20H12F3N3O2S
Mol. Mass.:
415.388
SMILES:
CC1=NN=C(c2cc3c(cccc3s2)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Structure:
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