BIOPEP-UWM: Report
| ID | 89 |
| 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 | 13 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 1277.3560 | Monoisotopic mass | 1276.5585 | |
| 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)NCC(=O)NCC(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCSC)C(=O)O InChI=1S/C51H84N14O22S/c1-9-22(2)39(49(84)62-31(13-17-38(74)75)47(82)63-32(51(86)87)18-19-88-8)64-48(83)29(11-14-33(53)67)60-43(78)26(6)57-42(77)25(5)59-50(85)40(27(7)66)65-44(79)24(4)56-35(69)21-54-34(68)20-55-41(76)23(3)58-46(81)30(12-16-37(72)73)61-45(80)28(52)10-15-36(70)71/h22-32,39-40,66H,9-21,52H2,1-8H3,(H2,53,67)(H,54,68)(H,55,76)(H,56,69)(H,57,77)(H,58,81)(H,59,85)(H,60,78)(H,61,80)(H,62,84)(H,63,82)(H,64,83)(H,65,79)(H,70,71)(H,72,73)(H,74,75)(H,86,87)/t22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,39-,40-/m0/s1 InChIKey=SQYPWDKIRKVJIL-ULOZQXMPSA-N Bioactivity predicted using molecular docking |
| Database reference: |