BIOPEP-UWM: Report

ID 63
Name Antiviral peptide
sequence
PSF

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 349.3807 Monoisotopic mass 349.1632
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: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C17H23N3O5/c21-10-14(20-15(22)12-7-4-8-18-12)16(23)19-13(17(24)25)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,18,21H,4,7-10H2,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1

InChIKey=QKDIHFHGHBYTKB-IHRRRGAJSA-N


Bioactivity predicted using molecular docking



Database reference:
ChEBI: ID 162643

ChemSpider: ID 57552645

EPA CompTox: ID DTXSID50827446

PubChem: CID 71406847