BIOPEP-UWM: Report

ID 69
Name Antiviral peptide
sequence
DAY

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 367.3530 Monoisotopic mass 367.1374
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])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C16H21N3O7/c1-8(18-15(24)11(17)7-13(21)22)14(23)19-12(16(25)26)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,11-,12-/m0/s1

InChIKey=BLQBMRNMBAYREH-UWJYBYFXSA-N


Bioactivity predicted using molecular docking




Database reference:
ChEBI: ID 160313

PubChem: CID 14389357