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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM17144
Substrate
GSK-3 Peptide Substrate
Meas. Tech.
GSK-3 beta Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
80±n/a nM
Citation
 Richardson, CM; Nunns, CL; Williamson, DS; Parratt, MJ; Dokurno, P; Howes, R; Borgognoni, J; Drysdale, MJ; Finch, H; Hubbard, RE; Jackson, PS; Kierstan, P; Lentzen, G; Moore, JD; Murray, JB; Simmonite, H; Surgenor, AE; Torrance, CJ Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping. Bioorg Med Chem Lett 17:3880-5 (2007) [PubMed]  Article 
Target
Name:
Glycogen synthase kinase-3 beta
Synonyms:
GSK-3, beta | GSK3B_RAT | Glycogen Synthase Kinase-3, beta | Gsk3b
Type:
Enzyme
Mol. Mass.:
46754.43
Organism:
Rattus norvegicus (rat)
Description:
The rat GSK-3 beta cDNA was inserted into the baculovirus vector. The protein was purified from virus-infected sf9 insect cells
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDMWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST
  
Inhibitor
Name:
BDBM17144
Synonyms:
2-imino-thiazolidin-4-one analog, 6 | 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzene-1-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C15H13N3O4S2
Mol. Mass.:
363.411
SMILES:
CNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
GSK-3 Peptide Substrate
Synonyms:
GS-1 Peptide | Phospho-GS2 Substrate Peptide
Type:
Peptide
Mol. Mass.:
3045.17
Organism:
n/a
Description:
n/a
Residue:
27
Sequence:
YRRAAVPPSPSLSRHSSPHQSPEDEEE