BIOPEP-UWM: Report

ID 30
Name Antiviral peptide
sequence
PASQF

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6LU7)
 
Number of residues
5
Activity code
avi
Activity :
antiviral
Chemical mass 548.5873 Monoisotopic mass 548.2586
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])(C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C25H36N6O8/c1-14(28-22(35)16-8-5-11-27-16)21(34)31-19(13-32)24(37)29-17(9-10-20(26)33)23(36)30-18(25(38)39)12-15-6-3-2-4-7-15/h2-4,6-7,14,16-19,27,32H,5,8-13H2,1H3,(H2,26,33)(H,28,35)(H,29,37)(H,30,36)(H,31,34)(H,38,39)/t14-,16-,17-,18-,19-/m0/s1

InChIKey=JSYGDRDGOQYOBO-GBBGEASQSA-N


Bioactivity predicted using molecular docking



Database reference: