Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM50552452
Substrate
n/a
Meas. Tech.
ChEMBL_2034418 (CHEMBL4688576)
IC50
12±n/a nM
Citation
 Jiang, X; Wang, Y; Liu, C; Xing, C; Wang, Y; Lyu, W; Wang, S; Li, Q; Chen, T; Chen, Y; Feng, F; Liu, W; Sun, H Discovery of potent glycogen synthase kinase 3/cholinesterase inhibitors with neuroprotection as potential therapeutic agent for Alzheimer's disease. Bioorg Med Chem 30:0 (2021) [PubMed]  Article 
Target
Name:
Glycogen synthase kinase-3 alpha
Synonyms:
GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha)
Type:
Enzyme
Mol. Mass.:
50991.79
Organism:
Homo sapiens (Human)
Description:
P49840
Residue:
483
Sequence:
MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS
  
Inhibitor
Name:
BDBM50552452
Synonyms:
CHEMBL4747992
Type:
Small organic molecule
Emp. Form.:
C28H32FN5O3S
Mol. Mass.:
537.649
SMILES:
NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
Structure:
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