BIOPEP-UWM: Report
| ID | 109 |
| 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 | 7 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 691.7931 | Monoisotopic mass | 691.3199 | |
| 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)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)O InChI=1S/C28H49N7O11S/c1-8-12(2)20(34-22(39)13(3)29)26(43)35-21(16(6)36)27(44)33-18(11-19(37)38)25(42)31-14(4)23(40)30-15(5)24(41)32-17(28(45)46)9-10-47-7/h12-18,20-21,36H,8-11,29H2,1-7H3,(H,30,40)(H,31,42)(H,32,41)(H,33,44)(H,34,39)(H,35,43)(H,37,38)(H,45,46)/t12-,13-,14-,15-,16+,17-,18-,20-,21-/m0/s1 InChIKey=MRRRZMVPELPEMW-VQFFMZJDSA-N Bioactivity predicted using molecular docking |
| Database reference: |