BIOPEP-UWM: Report

ID 49
Name Antiviral peptide
sequence
RL
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 287.3576 Monoisotopic mass 287.1952
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: [H][C@](N)(CCCNC(N)=N)C(=O)N[C@@]([H])(CC(C)C)C(O)=O

InChI=1S/C12H25N5O3/c1-7(2)6-9(11(19)20)17-10(18)8(13)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t8-,9-/m0/s1

InChIKey=WYBVBIHNJWOLCJ-IUCAKERBSA-N


Bioactivity predicted using molecular docking


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the BIOPEP-UWM database of bioactive peptides (ID 3257)
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8886)
Inhibitor of leucyltransferase (EC 2.3.2.6) according to the BRENDA database

Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 485); the EROP-Moscow database


Database reference:
Database reference:

AHTPDB: ID 1185, 1246, 1434, 3124, 3194, 3532, 4020, 4111, 5621

BioPepDB: ID biopep01193

BIOPEP-UWM database of bioactive peptides: ID 3257; 8886

BIOPEP-UWM database of sensory peptides and amino acids: ID 485

BRENDA: Ligand Arg-Leu

ChEBI: ID 73815

ChemSpider: ID 5360693

EPA DSSTox: ID DTXCID50377158

EROP-Moscow: ID E01834

FeptideDB: ID 3257; 8886

J-GLOBAL: ID 200907075429652219

Nikkaji: ID J80.070H

PubChem: CID 6992563

SATPdb: ID satpdb18069