BIOPEP-UWM: Report

ID 71
Name Antiviral peptide
sequence
QSE

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7)
 
Number of residues
3
Activity code
avi
Activity :
antiviral
Chemical mass 362.3349 Monoisotopic mass 362.1432
EC50 :
0.00 µM



Bibliographic data:
Authors
Behzadipour Y., Gholampour M., Pirhadi S., Seradj H., Khoshneviszadeh M., Hemmati S.
Title
Viral 3CLpro as a target for antiviral intervention using milk‑derived bioactive peptides. Int. J. Pept. Res. Therapeut., 27, 2703–2716, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: SMILES: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C13H22N4O8/c14-6(1-3-9(15)19)11(22)17-8(5-18)12(23)16-7(13(24)25)2-4-10(20)21/h6-8,18H,1-5,14H2,(H2,15,19)(H,16,23)(H,17,22)(H,20,21)(H,24,25)/t6-,7-,8-/m0/s1

InChIKey=RWQCWSGOOOEGPB-FXQIFTODSA-N


Bioactivity predicted using molecular docking




Database reference:
ChEBI: ID 162466

PubChem: CID 145455201