BIOPEP-UWM: Report
| ID | 94 |
| 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 | 760.7481 | Monoisotopic mass | 760.3340 | |
| 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)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C29H48N10O14/c1-13(35-25(49)16(6-10-21(43)44)37-24(48)14(30)4-9-20(41)42)23(47)36-15(5-8-19(31)40)26(50)38-17(7-11-22(45)46)27(51)39-18(28(52)53)3-2-12-34-29(32)33/h13-18H,2-12,30H2,1H3,(H2,31,40)(H,35,49)(H,36,47)(H,37,48)(H,38,50)(H,39,51)(H,41,42)(H,43,44)(H,45,46)(H,52,53)(H4,32,33,34)/t13-,14-,15-,16-,17-,18-/m0/s1 InChIKey=MFFJZVXZLOSJPD-QQCJEOGWSA-N Bioactivity predicted using molecular docking |
| Database reference: |