BIOPEP-UWM: Report
| ID | 100 |
| 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 | 574.5832 | Monoisotopic mass | 574.2702 | |
| 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])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C22H38N8O10/c1-9(2)16(20(38)28-12(21(39)40)5-4-6-26-22(24)25)30-17(35)10(3)27-19(37)13(8-15(33)34)29-18(36)11(23)7-14(31)32/h9-13,16H,4-8,23H2,1-3H3,(H,27,37)(H,28,38)(H,29,36)(H,30,35)(H,31,32)(H,33,34)(H,39,40)(H4,24,25,26)/t10-,11-,12-,13-,16-/m0/s1 InChIKey=XVKQQFURIJHGPZ-YTORKDELSA-N Bioactivity predicted using molecular docking |
| Database reference: |