BIOPEP-UWM: Report
| ID | 7 |
| Name | Anticancer peptide |
| sequence |
| Function: | |||
| Predicted ligand of Keap1 protein (PDB ID: 2FLU) | |||
| Number of residues | 7 |
Activity code | ac |
| Activity : | anticancer |
|||
| Chemical mass | 836.9079 | Monoisotopic mass | 836.3362 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Chai T.-T., Koh J.-A., Wong C. C.-C., Sabri M.Z., Wong F.-C. | |
| Title | |
| Computational screening for the anticancer potential of seed-derived antioxidant peptides: a cheminformatic approach. Molecules, 26, 7396, 2021 | |
| Year | Source |
| 2021 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)O InChI=1S/C31H47N11O11/c1-15(2)6- InChI=1S/C36H52N8O13S/c1-58-17-15-24(34(54)40-22(10-13-29(47)48)33(53)43-25(36(56)57)9-12-27(38)45)41-32(52)23(11-14-30(49)50)42-35(55)26-8-5-16-44(26)28(46)19-39-31(51)21(37)18-20-6-3-2-4-7-20/h2-4,6-7,21-26H,5,8-19,37H2,1H3,(H2,38,45)(H,39,51)(H,40,54)(H,41,52)(H,42,55)(H,43,53)(H,47,48)(H,49,50)(H,56,57)/t21-,22-,23-,24-,25-,26-/m0/s1 20(29(50)42-22(31(52)53)8-18-10-34-14-37-18)40-30(51)23(12-43)38-24(44)11-35-27(48)21(7-17-9-33-13-36-17)41-28(49)19(4-5-25(45)46)39-26(47)16(3)32/h9-10,13-16,19-23,43H,4-8,11-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,35,48)(H,38,44)(H,39,47)(H,40,51)(H,41,49)(H,42,50)(H,45,46)(H,52,53)/t16-,19-,20-,21-,22-,23-/m0/s1 InChIKey=XNPCGUYELQRKKY-FRSCJGFNSA-N Bioactivity predicted using molecular docking |
| Database reference: |