BIOPEP-UWM: Report

ID 58
Name Antiviral peptide
sequence
RQF

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 449.5028 Monoisotopic mass 449.2380
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: N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C20H31N7O5/c21-13(7-4-10-25-20(23)24)17(29)26-14(8-9-16(22)28)18(30)27-15(19(31)32)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,21H2,(H2,22,28)(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t13-,14-,15-/m0/s1

InChIKey=LLZXKVAAEWBUPB-KKUMJFAQSA-N

Bioactivity predicted using molecular docking




Database reference:
ChEBI: ID 158906

PubChem: CID 145453797