BIOPEP-UWM: Report

ID 32
Name Antiviral peptide
sequence
THF

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6LU7)
 
Number of residues
3
Activity code
avi
Activity :
antiviral
Chemical mass 403.4313 Monoisotopic mass 403.1850
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])([C@]([H])(O)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C19H25N5O5/c1-11(25)16(20)18(27)23-14(8-13-9-21-10-22-13)17(26)24-15(19(28)29)7-12-5-3-2-4-6-12/h2-6,9-11,14-16,25H,7-8,20H2,1H3,(H,21,22)(H,23,27)(H,24,26)(H,28,29)/t11-,14+,15+,16+/m1/s1

InChIKey=UDNVOQMPQBEITB-MEYUZBJRSA-N


Bioactivity predicted using molecular docking




Database reference:
ChEBI: ID 163953

PubChem: CID 44782642