BIOPEP-UWM: Report

ID 33
Name Antiviral peptide
sequence
AIPAW

Function:
Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB: 6LU7)
 
Number of residues
5
Activity code
avi
Activity :
antiviral
Chemical mass 556.6522 Monoisotopic mass 556.3000
EC50 :
0.00 µM



Bibliographic data:
Authors
Yao Y., Luo Z., Zhang X.
Title
In silico evaluation of marine fish proteins as nutritional supplement for COVID-2019 patients. Food Funct., 11, 5565-5572, 2020
Year Source
2020 Journal



Additional information:
BIOPEP-UWM Virtual database


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

InChI=1S/C28H40N6O6/c1-5-15(2)23(33-24(35)16(3)29)27(38)34-12-8-11-22(34)26(37)31-17(4)25(36)32-21(28(39)40)13-18-14-30-20-10-7-6-9-19(18)20/h6-7,9-10,14-17,21-23,30H,5,8,11-13,29H2,1-4H3,(H,31,37)(H,32,36)(H,33,35)(H,39,40)/t15-,16-,17-,21-,22-,23-/m0/s1

InChIKey=RBUKDAOWSITJRX-BGHDJBMGSA-N


Bioactivity predicted using molecular docking




Database reference: