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Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM50377239
Substrate
n/a
Meas. Tech.
ChEMBL_479409 (CHEMBL928211)
IC50
172±n/a nM
Citation
 Lum, C; Kahl, J; Kessler, L; Kucharski, J; Lundström, J; Miller, S; Nakanishi, H; Pei, Y; Pryor, K; Roberts, E; Sebo, L; Sullivan, R; Urban, J; Wang, Z 2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3). Bioorg Med Chem Lett 18:3578-81 (2008) [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:
BDBM50377239
Synonyms:
CHEMBL256517
Type:
Small organic molecule
Emp. Form.:
C16H19N5O3
Mol. Mass.:
329.3538
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(c(Nc2ccccc2)n1)[N+]([O-])=O |wU:4.7,wD:1.0,(10.05,-30.85,;10.05,-29.31,;11.38,-28.53,;11.38,-26.99,;10.05,-26.23,;8.71,-27,;8.71,-28.54,;10.05,-24.69,;8.71,-23.92,;8.7,-22.37,;7.36,-21.61,;6.04,-22.38,;6.04,-23.92,;4.7,-24.69,;4.7,-26.23,;3.36,-26.99,;3.36,-28.53,;4.69,-29.31,;6.03,-28.53,;6.03,-26.99,;7.37,-24.69,;4.7,-21.61,;4.7,-20.07,;3.37,-22.38,)|
Structure:
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