BIOPEP-UWM: Report

ID 76
Name Antiviral peptide
sequence
PHWNIN

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7), spike glycoprotein RBD (PDB ID: 6LZG) and papain-like protein (EC 3.4.19.12) (MEROPS ID: C16.009) (PDB ID: 6WX4)
 
Number of residues
6
Activity code
avi
Activity :
antiviral
Chemical mass 779.8406 Monoisotopic mass 779.3704
EC50 :
0.00 µM



Bibliographic data:
Authors
Wong F.-C., Ong J.-H., Kumar D. T., Chai T.-T.
Title
In silico identification of multi‑target anti‑SARS‑CoV‑2 peptides from quinoa seed proteins. Int. J. Peptide Res. Therapeut., 27, 1837–1847, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O

InChI=1S/C36H49N11O9/c1-3-18(2)30(35(54)46-27(36(55)56)14-29(38)49)47-34(53)26(13-28(37)48)45-32(51)24(11-19-15-41-22-8-5-4-7-21(19)22)43-33(52)25(12-20-16-39-17-42-20)44-31(50)23-9-6-10-40-23/h4-5,7-8,15-18,23-27,30,40-41H,3,6,9-14H2,1-2H3,(H2,37,48)(H2,38,49)(H,39,42)(H,43,52)(H,44,50)(H,45,51)(H,46,54)(H,47,53)(H,55,56)/t18-,23-,24-,25-,26-,27-,30-/m0/s1

InChIKey=VDFKDIWFGJLKSR-UNVUSGAESA-N


Bioactivity predicted using molecular docking





Database reference: