BIOPEP-UWM: Report
| ID | 124 |
| 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 | 576.6630 | Monoisotopic mass | 576.2568 | |
| 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])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)O InChI=1S/C23H40N6O9S/c1-11(2)18(22(36)26-12(3)19(33)28-15(23(37)38)9-10-39-4)29-21(35)14(6-7-16(25)30)27-20(34)13(24)5-8-17(31)32/h11-15,18H,5-10,24H2,1-4H3,(H2,25,30)(H,26,36)(H,27,34)(H,28,33)(H,29,35)(H,31,32)(H,37,38)/t12-,13-,14-,15-,18-/m0/s1 InChIKey=KRSFNGCIXNSBHA-PQKJENKHSA-N Bioactivity predicted using molecular docking |
| Database reference: |