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Target
Glycogen synthase kinase-3 beta/[Tau protein] kinase
Ligand
BDBM50523276
Substrate
n/a
Meas. Tech.
ChEMBL_1889413 (CHEMBL4391167)
IC50
7.0±n/a nM
Citation
 Oukoloff, K; Coquelle, N; Bartolini, M; Naldi, M; Le Guevel, R; Bach, S; Josselin, B; Ruchaud, S; Catto, M; Pisani, L; Denora, N; Iacobazzi, RM; Silman, I; Sussman, JL; Buron, F; Colletier, JP; Jean, L; Routier, S; Renard, PY Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur J Med Chem 168:58-77 (2019) [PubMed]  Article 
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:
BDBM50523276
Synonyms:
CHEMBL4443989
Type:
Small organic molecule
Emp. Form.:
C35H35N9O2
Mol. Mass.:
613.7115
SMILES:
[H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r|
Structure:
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