BIOPEP-UWM: Report

ID 17
Name Antiviral peptide
sequence
ECQTR

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 635.6904 Monoisotopic mass 635.2688
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: N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C23H41N9O10S/c1-10(33)17(21(40)30-13(22(41)42)3-2-8-28-23(26)27)32-19(38)12(5-6-15(25)34)29-20(39)14(9-43)31-18(37)11(24)4-7-16(35)36/h10-14,17,33,43H,2-9,24H2,1H3,(H2,25,34)(H,29,39)(H,30,40)(H,31,37)(H,32,38)(H,35,36)(H,41,42)(H4,26,27,28)/t10-,11+,12+,13+,14+,17+/m1/s1

InChIKey=GKPDQEMWWUWDNW-UFRCXNNCSA-N


Bioactivity predicted using molecular docking




Database reference: