PPIPT00753

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-Gla-Leu-Tyr-Glu-Asn-Val-Gly-Met-Tyr-Cys)-amide
Peptide_Sequence XLEYENVGMTC
Peptide_Length 11
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification X1=gamma-carboxy-L-glutamic 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 1215.36
Aliphatic_Index 61.81818
Aromaticity 0.09091
Average_Rotatable_Bonds 3.54545
Charge_at_pH_7 -2.06129
Isoelectric_point 3.61368
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 512.47000
X_logP_energy -5.17180
Interaction Information
Affinity IC50=0.64 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