BIOPEP-UWM: Report
| ID | 106 |
| 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 | 718.7082 | Monoisotopic mass | 718.3122 | |
| 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)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(=O)O)C(=O)O InChI=1S/C28H46N8O14/c1-3-12(2)22(27(48)35-17(11-37)26(47)34-16(28(49)50)10-21(42)43)36-25(46)15(6-9-20(40)41)33-24(45)14(5-8-19(31)39)32-23(44)13(29)4-7-18(30)38/h12-17,22,37H,3-11,29H2,1-2H3,(H2,30,38)(H2,31,39)(H,32,44)(H,33,45)(H,34,47)(H,35,48)(H,36,46)(H,40,41)(H,42,43)(H,49,50)/t12-,13-,14-,15-,16-,17-,22-/m0/s1 InChIKey=UMDLZZRLCDJBNE-XUXIUFHCSA-N Bioactivity predicted using molecular docking |
| Database reference: |