BIOPEP-UWM: Report
| ID | 99 |
| 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 | 573.6380 | Monoisotopic mass | 573.3112 | |
| 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])(C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C24H43N7O9/c1-5-12(2)19(23(38)29-15(24(39)40)8-6-7-9-25)31-21(36)14(4)28-22(37)16(10-18(33)34)30-20(35)13(3)27-17(32)11-26/h12-16,19H,5-11,25-26H2,1-4H3,(H,27,32)(H,28,37)(H,29,38)(H,30,35)(H,31,36)(H,33,34)(H,39,40)/t12-,13-,14-,15-,16-,19-/m0/s1 InChIKey=CWRVXWDWTHDJCN-GGDDPFQJSA-N Bioactivity predicted using molecular docking |
| Database reference: |