PPIPT00755

Target Protein Information
Protein_Name Growth factor receptor-bound protein 2
Protein_Sequence MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
Organism_Source Homo sapiens
Functional_Classification Adaptor/scaffold protein
Cellular_Localization Cytoplasm
Gene_Names GRB2
UniProt_ID P62993
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cyclo(CH2CO-Adi-Leu-Tyr-Adi-Asn-Val-Gly-Met-Tyr-Cys)-amide
Peptide_Sequence XLTXNVGMTC
Peptide_Length 10
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification X1=alpha-aminoadipic acid; X4=alpha-aminoadipic acid
Cyclization_Method Main chain-side chain cyclization; X1<->C10; other bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 952.11
Aliphatic_Index 68.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 -0.06399
Isoelectric_point 5.92254
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 408.77000
X_logP_energy -6.32230
Interaction Information
Affinity IC50=3.05 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title REDOX-STABLE, NON-PHOSPHORYLATED CYCLIC PEPTIDE INHIBITORS OF SH2 DOMAIN BINDING TO TARGET PROTEIN, CONJUGATES THEREOF, COMPOSITIONS AND METHODS OF SYNTHESIS AND USE
Release_Year 2006
Patent_ID US20060014927A1