Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 beta
Ligand
BDBM50562944
Substrate
n/a
Meas. Tech.
ChEMBL_2081048 (CHEMBL4736839)
IC50
6080±n/a nM
Citation
 Davies, MP; Benitez, R; Perez, C; Jakupovic, S; Welsby, P; Rzepecka, K; Alder, J; Davidson, C; Martinez, A; Hayes, JM Structure-Based Design of Potent Selective Nanomolar Type-II Inhibitors of Glycogen Synthase Kinase-3?. J Med Chem 64:1497-1509 (2021) [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:
BDBM50562944
Synonyms:
CHEMBL4797635
Type:
Small organic molecule
Emp. Form.:
C25H24N6O4
Mol. Mass.:
472.4959
SMILES:
[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccccc3OC)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: