BIOPEP-UWM: Report
| ID | 112 |
| 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 | 575.5680 | Monoisotopic mass | 575.2542 | |
| 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)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C22H37N7O11/c1-10(26-19(36)11(24)8-15(25)30)18(35)27-12(5-6-16(31)32)20(37)29-14(9-17(33)34)21(38)28-13(22(39)40)4-2-3-7-23/h10-14H,2-9,23-24H2,1H3,(H2,25,30)(H,26,36)(H,27,35)(H,28,38)(H,29,37)(H,31,32)(H,33,34)(H,39,40)/t10-,11-,12-,13-,14-/m0/s1 InChIKey=MWDVWBNPUIQQMD-PEDHHIEDSA-N Bioactivity predicted using molecular docking |
| Database reference: |