BIOPEP-UWM: Report

ID 31
Name Antiviral peptide
sequence
IITAM

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 547.7077 Monoisotopic mass 547.3029
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@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)O

InChI=1S/C24H45N5O7S/c1-8-12(3)17(25)21(32)28-18(13(4)9-2)22(33)29-19(15(6)30)23(34)26-14(5)20(31)27-16(24(35)36)10-11-37-7/h12-19,30H,8-11,25H2,1-7H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-/m0/s1

InChIKey=WOMQZTDFEZLVFC-FMKNUBLKSA-N


Bioactivity predicted using molecular docking




Database reference: