BIOPEP-UWM: Report

ID 163
Name Antiviral peptide
sequence
AEYCIKR

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
7
Activity code
avi
Activity :
antiviral
Chemical mass 882.0375 Monoisotopic mass 881.4415
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: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C38H63N11O11S/c1-4-20(2)30(36(58)45-24(8-5-6-16-39)32(54)46-26(37(59)60)9-7-17-43-38(41)42)49-35(57)28(19-61)48-34(56)27(18-22-10-12-23(50)13-11-22)47-33(55)25(14-15-29(51)52)44-31(53)21(3)40/h10-13,20-21,24-28,30,50,61H,4-9,14-19,39-40H2,1-3H3,(H,44,53)(H,45,58)(H,46,54)(H,47,55)(H,48,56)(H,49,57)(H,51,52)(H,59,60)(H4,41,42,43)/t20-,21-,24-,25-,26-,27-,28-,30-/m0/s1

InChIKey=OXBJAEYXVJZWBW-YJNKUUHXSA-N


Bioactivity predicted using molecular docking



Database reference: