BIOPEP-UWM: Report
| ID | 104 |
| 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 | 675.6868 | Monoisotopic mass | 675.3177 | |
| 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)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C26H45N9O12/c1-11(2)19(27)24(45)34-15(9-18(39)40)22(43)31-12(3)20(41)35-16(10-36)23(44)32-13(6-7-17(37)38)21(42)33-14(25(46)47)5-4-8-30-26(28)29/h11-16,19,36H,4-10,27H2,1-3H3,(H,31,43)(H,32,44)(H,33,42)(H,34,45)(H,35,41)(H,37,38)(H,39,40)(H,46,47)(H4,28,29,30)/t12-,13-,14-,15-,16-,19-/m0/s1 InChIKey=QFEYSXKGPBPPFV-GGDDPFQJSA-N Bioactivity predicted using molecular docking |
| Database reference: |