BIOPEP-UWM: Report
| ID | 101 |
| 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 | 5 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 604.6487 | Monoisotopic mass | 604.3057 | |
| 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])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C25H44N6O11/c1-12(2)19(27)23(39)28-15(8-10-18(35)36)22(38)31-20(13(3)32)24(40)29-14(7-9-17(33)34)21(37)30-16(25(41)42)6-4-5-11-26/h12-16,19-20,32H,4-11,26-27H2,1-3H3,(H,28,39)(H,29,40)(H,30,37)(H,31,38)(H,33,34)(H,35,36)(H,41,42)/t13-,14+,15+,16+,19+,20+/m1/s1 InChIKey=UCPCVSRHOCBDMG-NIDXHAAISA-N Bioactivity predicted using molecular docking |
| Database reference: |