BIOPEP-UWM: Report

ID 50
Name Antiviral peptide
sequence
CQ

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7)
 
Number of residues
2
Activity code
avi
Activity :
antiviral
Chemical mass 249.2879 Monoisotopic mass 249.0780
EC50 :
0.00 µM



Bibliographic data:
Authors
Zhao W., Li W., Yu Z., Wu S., Ding L., Liu J.
Title
Identification of lactoferrin-derived peptides as potential inhibitors against the main protease of SARS-CoV-2. LWT, 154, 112684, 2022
Year Source
2022 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)O

InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

InChIKey=YHDXIZKDOIWPBW-WHFBIAKZSA-N


Bioactivity predicted using molecular docking


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the EROP-Moscow database



Database reference:
ChEBI: ID 157805

ChemSpider: ID 57558418

EPA CompTox: ID DTXSID20658022

EROP-Moscow: ID E23629

J-GLOBAL: ID 200907082950758933

Nikkaji: ID J36.788E

PubChem: CID 44243139

SureChEMBL: ID SCHEMBL4227234