BIOPEP-UWM: Report

ID 54
Name Antiviral peptide
sequence
PEW
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 430.4533 Monoisotopic mass 430.1846
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: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C21H26N4O6/c26-18(27)8-7-16(24-19(28)15-6-3-9-22-15)20(29)25-17(21(30)31)10-12-11-23-14-5-2-1-4-13(12)14/h1-2,4-5,11,15-17,22-23H,3,6-10H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17-/m0/s1

InChIKey=ZTVCLZLGHZXLOT-ULQDDVLXSA-N


Bioactivity predicted using molecular docking


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


Database reference:
AHTPDB: ID 2108, 3662

BioPepDB: ID biopep01038

ChEBI: ID 162291

PubChem: CID 145457466

SATPdb: ID satpdb21959