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Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM50377250
Substrate
n/a
Meas. Tech.
ChEMBL_479409 (CHEMBL928211)
IC50
123±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:
BDBM50377250
Synonyms:
CHEMBL404174
Type:
Small organic molecule
Emp. Form.:
C20H29N5O4
Mol. Mass.:
403.4754
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)|
Structure:
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