BIOPEP-UWM: Report

ID 55
Name Antiviral peptide
sequence
QSW
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 419.4307 Monoisotopic mass 419.1799
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])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C19H25N5O6/c20-12(5-6-16(21)26)17(27)24-15(9-25)18(28)23-14(19(29)30)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,25H,5-7,9,20H2,(H2,21,26)(H,23,28)(H,24,27)(H,29,30)/t12-,14-,15-/m0/s1

InChIKey=QENSHQJGWGRPQS-QEJZJMRPSA-N


Bioactivity predicted using molecular docking


Database reference:
ChEBI: ID 162488

ChemSpider: ID 61710871

J-GLOBAL: ID 200907062591753202

MMDB: ID 128381

Nikkaji: ID J2.110.552J

PubChem: CID 91667417