BIOPEP-UWM: Report
| ID | 96 |
| 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 | 661.6603 | Monoisotopic mass | 661.3021 | |
| EC50 : | 0.00 µM |
|||
| 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)O)C(=O)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])(CCCNC(=N)N)C(=O)O InChI=1S/C25H43N9O12/c1-11(35)19(34-22(43)13(5-7-16(27)36)31-20(41)12(26)4-8-17(37)38)23(44)32-14(6-9-18(39)40)21(42)33-15(24(45)46)3-2-10-30-25(28)29/h11-15,19,35H,2-10,26H2,1H3,(H2,27,36)(H,31,41)(H,32,44)(H,33,42)(H,34,43)(H,37,38)(H,39,40)(H,45,46)(H4,28,29,30)/t11-,12+,13+,14+,15+,19+/m1/s1 InChIKey=UZLFDRPPCNUELW-PGJJJXGXSA-N Bioactivity predicted using molecular docking |
| Database reference: |