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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM50377248
Substrate
n/a
Meas. Tech.
ChEMBL_479408 (CHEMBL928210)
IC50
41±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 beta
Synonyms:
GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B
Type:
Enzyme
Mol. Mass.:
46756.38
Organism:
Homo sapiens (Human)
Description:
P49841
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
  
Inhibitor
Name:
BDBM50377248
Synonyms:
CHEMBL255905
Type:
Small organic molecule
Emp. Form.:
C21H29F3N4O2
Mol. Mass.:
426.4758
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |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:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)|
Structure:
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