BIOPEP-UWM: Report

ID 74
Name Antiviral peptide
sequence
PNWKIN

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 770.8734 Monoisotopic mass 770.4063
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])(CC(=O)N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O

InChI=1S/C36H54N10O9/c1-3-19(2)30(35(53)45-27(36(54)55)17-29(39)48)46-32(50)24(11-6-7-13-37)42-33(51)25(15-20-18-41-22-10-5-4-9-21(20)22)43-34(52)26(16-28(38)47)44-31(49)23-12-8-14-40-23/h4-5,9-10,18-19,23-27,30,40-41H,3,6-8,11-17,37H2,1-2H3,(H2,38,47)(H2,39,48)(H,42,51)(H,43,52)(H,44,49)(H,45,53)(H,46,50)(H,54,55)/t19-,23-,24-,25-,26-,27-,30-/m0/s1

InChIKey=OPUCGYJOXIBFHI-OHOGSKLYSA-N


Bioactivity predicted using molecular docking





Database reference: