BIOPEP-UWM: Report
| ID | 111 |
| 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 | 6 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 674.6558 | Monoisotopic mass | 674.2861 | |
| 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: NCC(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O InChI=1S/C26H42N8O13/c1-3-11(2)21(25(45)32-14(9-20(40)41)24(44)33-15(26(46)47)8-17(29)36)34-23(43)13(4-6-16(28)35)31-22(42)12(5-7-19(38)39)30-18(37)10-27/h11-15,21H,3-10,27H2,1-2H3,(H2,28,35)(H2,29,36)(H,30,37)(H,31,42)(H,32,45)(H,33,44)(H,34,43)(H,38,39)(H,40,41)(H,46,47)/t11-,12-,13-,14-,15-,21-/m0/s1 InChIKey=VNIWPOQAXNKZDW-WZXYIJMJSA-N Bioactivity predicted using molecular docking |
| Database reference: |