BIOPEP-UWM: Report
| ID | 116 |
| 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 | 746.7612 | Monoisotopic mass | 746.3434 | |
| 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])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O InChI=1S/C30H50N8O14/c1-4-13(2)24(29(50)36-17(7-11-21(42)43)26(47)37-18(30(51)52)8-12-22(44)45)38-27(48)16(6-10-20(32)41)34-25(46)15(5-9-19(31)40)35-28(49)23(33)14(3)39/h13-18,23-24,39H,4-12,33H2,1-3H3,(H2,31,40)(H2,32,41)(H,34,46)(H,35,49)(H,36,50)(H,37,47)(H,38,48)(H,42,43)(H,44,45)(H,51,52)/t13-,14+,15-,16-,17-,18-,23-,24-/m0/s1 InChIKey=ZRUXNDNPZTYEOJ-ZPUJKRFLSA-N Bioactivity predicted using molecular docking |
| Database reference: |