PPIRE02762

Target Protein Information
Protein_Name Glycogen synthase kinase-3 beta
Protein_Sequence MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Cytoplasm
Gene_Names GSK3B
UniProt_ID P49841
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 2
Peptide_Sequence RRRRRCQWW
Peptide_Length 9
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1402.65
Aliphatic_Index 0.00000
Aromaticity 0.22222
Average_Rotatable_Bonds 5.00000
Charge_at_pH_7 4.93599
Isoelectric_Point 12.67615
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 680.29000
X_logP_energy -5.76365
Interaction Information
Affinity IC50=4.9 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Cellular Activity of CQWW Nullomer-Derived Peptides.
Release_Year 2025
PMID 40028100
DOI 10.1021/acsomega.4c08860