Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 beta
Ligand
BDBM11430
Substrate
GSK-3 Peptide Substrate
Meas. Tech.
Kinase Inhibition Assay
Temperature
303.15±n/a K
IC50
460±n/a nM
Comments
extracted
Citation
 Voigt, B; Meijer, L; Lozach, O; Schachtele, C; Totzke, F; Hilgeroth, A Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes. Bioorg Med Chem Lett 15:823-5 (2005) [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:
BDBM11430
Synonyms:
4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide | pyrazolo[1,5-a]pyrimidine 9c
Type:
Small organic molecule
Emp. Form.:
C21H26N8O2S
Mol. Mass.:
454.549
SMILES:
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;1.81,-2.56,;-3.2,7.02,;-4.53,7.79,)|
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