BIOPEP-UWM: Report
| ID | 95 |
| 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 | 790.8169 | Monoisotopic mass | 790.3808 | |
| 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)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C31H54N10O14/c1-14(36-26(49)16(33)6-9-21(34)44)25(48)41-24(15(2)43)30(53)38-18(8-11-23(46)47)28(51)40-20(13-42)29(52)37-17(7-10-22(35)45)27(50)39-19(31(54)55)5-3-4-12-32/h14-20,24,42-43H,3-13,32-33H2,1-2H3,(H2,34,44)(H2,35,45)(H,36,49)(H,37,52)(H,38,53)(H,39,50)(H,40,51)(H,41,48)(H,46,47)(H,54,55)/t14-,15+,16-,17-,18-,19-,20-,24-/m0/s1 InChIKey=INCSSNZUVGMMDH-JQFVIKMZSA-N Bioactivity predicted using molecular docking |
| Database reference: |