BIOPEP-UWM: Report
| ID | 122 |
| 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 | 831.8687 | Monoisotopic mass | 831.4073 | |
| 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])([C@]([H])(O)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C33H57N11O14/c1-5-14(2)24(30(55)40-18(9-10-21(35)46)28(53)41-19(32(57)58)7-6-12-38-33(36)37)43-26(51)15(3)39-29(54)20(13-23(49)50)42-31(56)25(16(4)45)44-27(52)17(34)8-11-22(47)48/h14-20,24-25,45H,5-13,34H2,1-4H3,(H2,35,46)(H,39,54)(H,40,55)(H,41,53)(H,42,56)(H,43,51)(H,44,52)(H,47,48)(H,49,50)(H,57,58)(H4,36,37,38)/t14-,15-,16+,17-,18-,19-,20-,24-,25-/m0/s1 InChIKey=ZMPIJSVLWMQTCR-KCHQJRFOSA-N Bioactivity predicted using molecular docking |
| Database reference: |