BIOPEP-UWM: Report
| ID | 316 |
| Name | Predicted anti-inflammatory peptide |
| sequence |
| Function: | |||
| Predicted ligand of glucocorticoid receptor (PDB ID: 1PQ3) | |||
| Number of residues | 6 |
Activity code | ai |
| Activity : | anti inflammatory |
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| Chemical mass | 725.7883 | Monoisotopic mass | 725.3696 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Aguilar-Toalá J. E., Cruz-Narváez Y., Quintanar-Guerrero D., Liceaga A. M., Zambrano-Zaragoza M. L. | |
| Title | |
| In silico bioactivity analysis of peptide fractions derived from brewer’s spent grain hydrolysates. Int. J. Food Sci. Technol., 59, 2804–2815, 2024 | |
| Year | Source |
| 2024 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C31H51N9O11/c1-16(2)14-20(38-25(45)17(32)15-24(43)44)28(48)40-13-5-8-22(40)29(49)39-12-4-7-21(39)27(47)36-18(9-10-23(41)42)26(46)37-19(30(50)51)6-3-11-35-31(33)34/h16-22H,3-15,32H2,1-2H3,(H,36,47)(H,37,46)(H,38,45)(H,41,42)(H,43,44)(H,50,51)(H4,33,34,35)/t17-,18-,19-,20-,21-,22-/m0/s1 InChIKey=KWTVVXLZFCSBEY-WLNPFYQQSA-N Bioactivity predicted by molecular docking |
| Database reference: |