Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlycogen synthase kinase-3
LigandBDBM50154937
Substrate/Competitorn/a
Meas. Tech.ChEMBL_512164
IC50 12000±n/a nM
Citation Oumata, NBettayeb, KFerandin, YDemange, LLopez-Giral, AGoddard, MLMyrianthopoulos, VMikros, EFlajolet, MGreengard, PMeijer, LGalons, H Roscovitine-derived, dual-specificity inhibitors of cyclin-dependent kinases and casein kinases 1. J Med Chem51:5229-42 (2008) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3
Name:Glycogen synthase kinase-3
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 932130
Components:This complex has 2 components.
Component 1
Name:Glycogen synthase kinase-3
Synonyms:Glycogen synthase kinase 3 beta
Type:PROTEIN
Mol. Mass.:46774.42
Organism:Sus scrofa
Description:ChEMBL_939732
Residue:420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTMVATPGQGPDRPQEVSYTDAK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPSNATAASDTNAGDRGQTNNTASASASNST
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Glycogen synthase kinase 3 alpha
Synonyms:GSK3A | Glycogen synthase kinase 3 alpha
Type:PROTEIN
Mol. Mass.:51010.29
Organism:Sus scrofa
Description:ChEMBL_117799
Residue:483
Sequence:
MSGGAPSGGGPGGSGRARTSSFAEHGGGGGGSGGGPGGSASGPGGGGGGKPSVGAMGGGV
GASSSGGGPSGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLADTRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPIIYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATGYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAITLCSSLLEYTPSSRLSPLEACAHNFFDELRCPGTQLPNNRPLP
PLFNFSPGELTIQPSLNAILIPPHLRSPAGTASLTSSSQALSETPTGPDWQSTDATTPLT
NSS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50154937
NameBDBM50154937
Synonyms:CHEMBL518800
TypeSmall organic molecule
Emp. Form.C24H29N7O
Mol. Mass.431.5334
SMILESCC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a