BIOPEP-UWM: Report
| ID | 92 |
| 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 | 748.7341 | Monoisotopic mass | 748.3227 | |
| 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])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C29H48N8O15/c1-13(38)23(37-24(46)14(31)5-8-19(32)39)28(50)34-16(7-10-21(42)43)25(47)33-15(6-9-20(40)41)26(48)36-18(12-22(44)45)27(49)35-17(29(51)52)4-2-3-11-30/h13-18,23,38H,2-12,30-31H2,1H3,(H2,32,39)(H,33,47)(H,34,50)(H,35,49)(H,36,48)(H,37,46)(H,40,41)(H,42,43)(H,44,45)(H,51,52)/t13-,14+,15+,16+,17+,18+,23+/m1/s1 InChIKey=JIBUZOYKWTWHMJ-XHTKPCMDSA-N Bioactivity predicted using molecular docking |
| Database reference: |