BIOPEP-UWM: Report

ID 45
Name Antiviral peptide
sequence
RC

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 277.3442 Monoisotopic mass 277.1205
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])(CCCNC(=N)N)C(=O)N[C@@]([H])(CS)C(=O)O

InChI=1S/C9H19N5O3S/c10-5(2-1-3-13-9(11)12)7(15)14-6(4-18)8(16)17/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1

InChIKey=OSASDIVHOSJVII-WDSKDSINSA-N


Bioactivity predicted using molecular docking



Database reference:
Database reference:
BMDB: ID BMDB62225

ChEBI: ID 157791

FooDB: ID FDB111763

HMDB: ID HMDB28706

J-GLOBAL: ID 200907053885260698

Nikkaji: ID J684.657B

PubChem: CID 71355545