BIOPEP-UWM: Report

ID 160
Name Antiviral peptide
sequence
CQRKTAPY

Function:
Predicted ligand of SARS-CoV-2 main protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6M03), papain-like protease (EC 3.4.19.12) (MEROPS ID: C16.009) (PDB: 6W9C) and spike glycoprotein (PDB: 6LZG)
 
Number of residues
8
Activity code
avi
Activity :
antiviral
Chemical mass 966.1140 Monoisotopic mass 965.4738
EC50 :
0.00 µM



Bibliographic data:
Authors
Ong J.-H., Liang C.-E., Wong W.-L., Wong F.-C., Chai T.-T.
Title
Multi-target anti-SARS-Cov-2 peptides from mealworm proteins: an in silico study. Malaysian J. Biochem. Mol. Biol., 1, 83-91, 2021
Year Source
2021 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C41H67N13O12S/c1-21(39(64)54-18-6-9-30(54)37(62)52-29(40(65)66)19-23-10-12-24(56)13-11-23)48-38(63)32(22(2)55)53-36(61)26(7-3-4-16-42)50-34(59)27(8-5-17-47-41(45)46)51-35(60)28(14-15-31(44)57)49-33(58)25(43)20-67/h10-13,21-22,25-30,32,55-56,67H,3-9,14-20,42-43H2,1-2H3,(H2,44,57)(H,48,63)(H,49,58)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,65,66)(H4,45,46,47)/t21-,22+,25-,26-,27-,28-,29-,30-,32-/m0/s1

InChIKey=OTEGRUOPCOVILJ-FQVUTMODSA-N


Bioactivity predicted using molecular docking



Database reference: