BIOPEP-UWM: Report

ID 1
Name Antiviral peptide
sequence
NDQF

Function:
Predicted ligand of SARS-CoV-2 spike protein (PDB ID: 6VXX)
 
Number of residues
4
Activity code
avi
Activity :
antiviral
Chemical mass 522.5072 Monoisotopic mass 522.2067
EC50 :
0.00 µM



Bibliographic data:
Authors
Zhao W., Xu G., Yu Z., Li J., Liu J
Title
Identification of nut protein-derived peptides against SARS-CoV-2 spike protein and main protease. Computers Biol. Med., 138, 104937, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI=1S/C22H30N6O9/c23-12(9-17(25)30)19(33)27-14(10-18(31)32)21(35)26-13(6-7-16(24)29)20(34)28-15(22(36)37)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10,23H2,(H2,24,29)(H2,25,30)(H,26,35)(H,27,33)(H,28,34)(H,31,32)(H,36,37)/t12-,13-,14-,15-/m0/s1

InChIKey=NUMZUCGBKBLPGP-AJNGGQMLSA-N


Bioactivity predicted using molecular docking



Database reference: