BIOPEP-UWM: Report
| ID | 93 |
| 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 | 7 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 786.7424 | Monoisotopic mass | 786.3133 | |
| 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)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O InChI=1S/C30H46N10O15/c1-12(24(48)38-18(30(54)55)7-14-9-33-11-34-14)35-28(52)19(10-41)39-29(53)23(13(2)42)40-27(51)17(8-22(46)47)37-26(50)16(4-5-20(32)43)36-25(49)15(31)3-6-21(44)45/h9,11-13,15-19,23,41-42H,3-8,10,31H2,1-2H3,(H2,32,43)(H,33,34)(H,35,52)(H,36,49)(H,37,50)(H,38,48)(H,39,53)(H,40,51)(H,44,45)(H,46,47)(H,54,55)/t12-,13+,15-,16-,17-,18-,19-,23-/m0/s1 InChIKey=RPDBCLVGXXGPSL-PKCFZOBYSA-N Bioactivity predicted using molecular docking |
| Database reference: |