BIOPEP-UWM: Report
| ID | 117 |
| Name | Antiviral peptide |
| sequence |
| Function: | |||
| Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7) | |||
| Number of residues | 5 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 588.6097 | Monoisotopic mass | 588.2858 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Yu Z., Kan R., Ji H., Wu S., Zhao W., Shuian D., Liu J., Li J. | |
| Title | |
| Identification of tuna protein-derived peptides as potent SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation. Food Chem., 342, 128366, 2021 | |
| Year | Source |
| 2021 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C23H40N8O10/c1-10(2)17(21(39)30-14(22(40)41)5-4-8-27-23(25)26)31-20(38)13(6-7-15(32)33)29-18(36)11(3)28-19(37)12(24)9-16(34)35/h10-14,17H,4-9,24H2,1-3H3,(H,28,37)(H,29,36)(H,30,39)(H,31,38)(H,32,33)(H,34,35)(H,40,41)(H4,25,26,27)/t11-,12-,13-,14-,17-/m0/s1 InChIKey=VMYLFGJYWZYJDR-DEEHTKSCSA-N Bioactivity predicted using molecular docking |
| Database reference: |