PPIRE18762

Target Protein Information
Protein_Name Vascular endothelial growth factor A long form
Protein_Sequence MTDRQTDTAPSPSYHLLPGRRRTVDAAASRGQGPEPAPGGGVEGVGARGVALKLFVQLLGCSRFGGAVVRAGEAEPSGAARSASSGREEPQPEEGEEEEEKEEERGPQWRLGARKPGSWTGEAAVCADSAPAARAPQALARASGRGGRVARRGAEESGPPHSPSRRGSASRAGPGRASETMNFLLSWVHWSLALLLYLHHAKWSQAAPMAEGGGQNHHEVVKFMDVYQRSYCHPIETLVDIFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKCECRPKKDRARQEKKSVRGKGKGQKRKRKKSRYKSWSVPCGPCSERRKHLFVQDPQTCKCSCKNTDSRCKARQLELNERTCRCDKPRR
Organism_Source Homo sapiens
Functional_Classification vascular endothelial growth factor
Cellular_Localization Extracellular
Gene_Names VEGFA
UniProt_ID P15692
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Aib12
Peptide_Sequence VEPNCDIHVXLXWECFERL
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
Chemical_Modification X12=Alpha-aminoisobutyric acid; X10=Norleucine
Cyclization_Method side chain-side chain cyclization; C5<-->C15; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2216.51
Aliphatic_Index 92.10526
Aromaticity 0.10526
Average_Rotatable_Bonds 3.63158
Charge_at_pH_7 -3.02929
Isoelectric_Point 4.14586
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 876.99000
X_logP_energy -5.65613
Interaction Information
Affinity KD=940 nM
Affinity_Assay Microscale Thermophoresis
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Conformationally Constrained Peptides with High Affinity to the Vascular Endothelial Growth Factor
Release_Year 2021
PMID 34269584
DOI 10.1021/acs.jmedchem.1c00219