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Target
Glycogen synthase kinase-3 beta/[Tau protein] kinase
Ligand
BDBM50594799
Substrate
n/a
Meas. Tech.
ChEMBL_2214235 (CHEMBL5127367)
IC50
1800±n/a nM
Citation
 Tahtouh, T; Durieu, E; Villiers, B; Bruyère, C; Nguyen, TL; Fant, X; Ahn, KH; Khurana, L; Deau, E; Lindberg, MF; Sévère, E; Miege, F; Roche, D; Limanton, E; L'Helgoual'ch, JM; Burgy, G; Guiheneuf, S; Herault, Y; Kendall, DA; Carreaux, F; Bazureau, JP; Meijer, L Structure-Activity Relationship in the Leucettine Family of Kinase Inhibitors. J Med Chem 65:1396-1417 (2022) [PubMed] 
Target
Name:
Glycogen synthase kinase-3 beta/[Tau protein] kinase
Synonyms:
Glycogen synthase kinase-3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2105817
Components:
This complex has 2 components.
Component 1
Name:
Glycogen synthase kinase-3 beta
Synonyms:
Glycogen synthase kinase 3 beta | Glycogen synthase kinase-3
Type:
PROTEIN
Mol. Mass.:
46774.42
Organism:
Sus scrofa
Description:
ChEMBL_939732
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTMVATPGQGPDRPQEVSYTDAKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPSNATAASDTNAGDRGQTNNTASASASNST
  
Component 2
Name:
[Tau protein] kinase
Synonyms:
GSK3A | Glycogen synthase kinase 3 alpha
Type:
PROTEIN
Mol. Mass.:
51010.29
Organism:
Sus scrofa
Description:
ChEMBL_117799
Residue:
483
Sequence:
MSGGAPSGGGPGGSGRARTSSFAEHGGGGGGSGGGPGGSASGPGGGGGGKPSVGAMGGGVGASSSGGGPSGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLADTRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPIIYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATGYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFKSRTPPEAITLCSSLLEYTPSSRLSPLEACAHNFFDELRCPGTQLPNNRPLPPLFNFSPGELTIQPSLNAILIPPHLRSPAGTASLTSSSQALSETPTGPDWQSTDATTPLTNSS
  
Inhibitor
Name:
BDBM50594799
Synonyms:
CHEMBL5187753
Type:
Small organic molecule
Emp. Form.:
C12H10N2O3S
Mol. Mass.:
262.284
SMILES:
CSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:2|
Structure:
Search PDB for entries with ligand similarity: