BIOPEP-UWM: Report

ID 27
Name Antiviral peptide
sequence
PISQF

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 590.6668 Monoisotopic mass 590.3054
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@]([H])(CC)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/C28H42N6O8/c1-3-16(2)23(34-24(37)18-10-7-13-30-18)27(40)33-21(15-35)26(39)31-19(11-12-22(29)36)25(38)32-20(28(41)42)14-17-8-5-4-6-9-17/h4-6,8-9,16,18-21,23,30,35H,3,7,10-15H2,1-2H3,(H2,29,36)(H,31,39)(H,32,38)(H,33,40)(H,34,37)(H,41,42)/t16-,18-,19-,20-,21-,23-/m0/s1

InChIKey=DDUBQOFPOBFVGO-XZOPAUEMSA-N


Bioactivity predicted using molecular docking



Database reference: