BIOPEP-UWM: Report
| ID | 113 |
| 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 | 676.6287 | Monoisotopic mass | 676.2654 | |
| 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])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)NCC(=O)N[C@@]([H])(CCC(=O)O)C(=O)O InChI=1S/C25H40N8O14/c1-10(34)20(33-21(42)11(26)2-5-15(27)35)24(45)31-12(3-6-18(38)39)23(44)32-14(8-16(28)36)22(43)29-9-17(37)30-13(25(46)47)4-7-19(40)41/h10-14,20,34H,2-9,26H2,1H3,(H2,27,35)(H2,28,36)(H,29,43)(H,30,37)(H,31,45)(H,32,44)(H,33,42)(H,38,39)(H,40,41)(H,46,47)/t10-,11+,12+,13+,14+,20+/m1/s1 InChIKey=MQOUZONTLCLKDL-BSVLCXTHSA-N Bioactivity predicted using molecular docking |
| Database reference: |