BIOPEP-UWM: Report

ID 29
Name Antiviral peptide
sequence
PESW

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6LU7)
 
Number of residues
4
Activity code
avi
Activity :
antiviral
Chemical mass 517.5304 Monoisotopic mass 517.2165
EC50 :
0.00 µM



Bibliographic data:
Authors
Yao Y., Luo Z., Zhang X.
Title
In silico evaluation of marine fish proteins as nutritional supplement for COVID-2019 patients. Food Funct., 11, 5565-5572, 2020
Year Source
2020 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C24H31N5O8/c30-12-19(29-22(34)17(7-8-20(31)32)27-21(33)16-6-3-9-25-16)23(35)28-18(24(36)37)10-13-11-26-15-5-2-1-4-14(13)15/h1-2,4-5,11,16-19,25-26,30H,3,6-10,12H2,(H,27,33)(H,28,35)(H,29,34)(H,31,32)(H,36,37)/t16-,17-,18-,19-/m0/s1

InChIKey=CVDVWGXOWGBEPO-VJANTYMQSA-N


Bioactivity predicted using molecular docking




Database reference: