Reaction Details
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Gamma-aminobutyric acid receptor subunit alpha-1
Ligand
BDBM50097413
Substrate
n/a
Meas. Tech.
ChEMBL_1502098 (CHEMBL3586973)
IC50
150±n/a nM
Citation
Sells, TB; Chau, R; Ecsedy, JA; Gershman, RE; Hoar, K; Huck, J; Janowick, DA; Kadambi, VJ; LeRoy, PJ; Stirling, M; Stroud, SG; Vos, TJ; Weatherhead, GS; Wysong, DR; Zhang, M; Balani, SK; Bolen, JB; Manfredi, MG; Claiborne, CF MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. ACS Med Chem Lett 6:630-4 (2015) [PubMed] Article More Info.:
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:
BDBM50097413
Synonyms:
CHEMBL3586473
Type:
Small organic molecule
Emp. Form.:
C26H18ClFN4O3
Mol. Mass.:
488.898
SMILES:
COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 |t:10|
Structure:
