BIOPEP-UWM: Report
| ID | 90 |
| 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 | 12 |
Activity code | avi |
| Activity : | antiviral |
|||
| Chemical mass | 1356.3059 | Monoisotopic mass | 1355.5570 | |
| 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])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O InChI=1S/C53H81N17O25/c1-21(60-45(86)26(54)5-11-34(55)72)42(83)63-29(8-14-38(77)78)48(89)66-28(7-13-37(75)76)47(88)61-22(2)43(84)64-30(9-15-39(79)80)49(90)67-31(10-16-40(81)82)50(91)65-27(6-12-35(56)73)46(87)62-23(3)44(85)68-32(18-36(57)74)51(92)70-41(24(4)71)52(93)69-33(53(94)95)17-25-19-58-20-59-25/h19-24,26-33,41,71H,5-18,54H2,1-4H3,(H2,55,72)(H2,56,73)(H2,57,74)(H,58,59)(H,60,86)(H,61,88)(H,62,87)(H,63,83)(H,64,84)(H,65,91)(H,66,89)(H,67,90)(H,68,85)(H,69,93)(H,70,92)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,94,95)/t21-,22-,23-,24+,26-,27-,28-,29-,30-,31-,32-,33-,41-/m0/s1 InChIKey=LUKBUGKNWAPCNE-ZCLADUESSA-N Bioactivity predicted using molecular docking |
| Database reference: |