BIOPEP-UWM: Report

ID 70
Name Antiviral peptide
sequence
QSA

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 304.2989 Monoisotopic mass 304.1378
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])(C)C(=O)O

InChI=1S/C11H20N4O6/c1-5(11(20)21)14-10(19)7(4-16)15-9(18)6(12)2-3-8(13)17/h5-7,16H,2-4,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)/t5-,6-,7-/m0/s1

InChIKey=KUBFPYIMAGXGBT-ACZMJKKPSA-N


Bioactivity predicted using molecular docking




Database reference:
ChEBI: ID 162454

PubChem: CID 15431729