Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit alpha-1
Ligand
BDBM50055935
Substrate
n/a
Meas. Tech.
ChEMBL_859592 (CHEMBL2168415)
IC50
1000000±n/a nM
Citation
 Savechenkov, PY; Zhang, X; Chiara, DC; Stewart, DS; Ge, R; Zhou, X; Raines, DE; Cohen, JB; Forman, SA; Miller, KW; Bruzik, KS Allyl m-trifluoromethyldiazirine mephobarbital: an unusually potent enantioselective and photoreactive barbiturate general anesthetic. J Med Chem 55:6554-65 (2012) [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:
BDBM50055935
Synonyms:
5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | 5-ethyl-5-(1-methylbutyl)barbituric acid | 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione | 5-ethyl-5-(sec-pentyl)barbituric acid | CHEMBL448 | Nembutal | PENTOBARBITAL | Pentobarbitone
Type:
Small organic molecule
Emp. Form.:
C11H18N2O3
Mol. Mass.:
226.2722
SMILES:
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
Structure:
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