BIOPEP-UWM: Report

ID 66
Name Antiviral peptide
sequence
DQW
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 447.4408 Monoisotopic mass 447.1748
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])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C20H25N5O7/c21-12(8-17(27)28)18(29)24-14(5-6-16(22)26)19(30)25-15(20(31)32)7-10-9-23-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1

InChIKey=JRBVWZLHBGYZNY-QEJZJMRPSA-N


Bioactivity predicted using molecular docking


Database reference:
ChEBI: ID 160507

MetaNetX: ID MNXM1123107

PubChem: CID 145454416