BIOPEP-UWM: Report

ID 80
Name Antiviral peptide
sequence
AIRAMPL

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
7
Activity code
avi
Activity :
antiviral
Chemical mass 770.9819 Monoisotopic mass 770.4459
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: N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)O

InChI=1S/C34H62N10O8S/c1-8-19(4)26(43-27(45)20(5)35)31(49)40-22(11-9-14-38-34(36)37)29(47)39-21(6)28(46)41-23(13-16-53-7)32(50)44-15-10-12-25(44)30(48)42-24(33(51)52)17-18(2)3/h18-26H,8-17,35H2,1-7H3,(H,39,47)(H,40,49)(H,41,46)(H,42,48)(H,43,45)(H,51,52)(H4,36,37,38)/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1

InChIKey=BNCZHORSMUPRHM-CAQMSIDYSA-N


Bioactivity predicted using molecular docking




Database reference: