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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM11452
Substrate
GSK-3 Peptide Substrate
Meas. Tech.
GSK-3 beta Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
780±n/a nM
Citation
 Richardson, CM; Williamson, DS; Parratt, MJ; Borgognoni, J; Cansfield, AD; Dokurno, P; Francis, GL; Howes, R; Moore, JD; Murray, JB; Robertson, A; Surgenor, AE; Torrance, CJ Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett 16:1353-7 (2006) [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:
BDBM11452
Synonyms:
4-({5-[(4-aminocyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzene-1-sulfonamide | triazolo[1,5-a]pyrimidine 14
Type:
Small organic molecule
Emp. Form.:
C17H22N8O2S
Mol. Mass.:
402.474
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;.68,6.76,;2.17,5.61,;1.45,3.88,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
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