BIOPEP-UWM: Report
| ID | 277 |
| Name | XIAP inhibitor |
| sequence |
| Function: | |||
| Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) | |||
| Number of residues | 4 |
Activity code | xiap |
| Activity : | XIAP inhibitor |
|||
| Chemical mass | 448.5543 | Monoisotopic mass | 448.2677 | |
| EC50 : | 0.00 µM |
|||
| Bibliographic data: | |
| Authors | |
| Fatoki T. H., Aluko R. E., Udenigwe C. C. | |
| Title | |
| In silico investigation of molecular targets, pharmacokinetics, and biological activities of chicken egg ovalbumin protein hydrolysates. J. Food Bioact., 17, 34–48, 2022 | |
| Year | Source |
| 2022 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O InChI=1S/C23H36N4O5/c1-6-14(4)19(27-20(28)15(5)24)22(30)26-18(13(2)3)21(29)25-17(23(31)32)12-16-10-8-7-9-11-16/h7-11,13-15,17-19H,6,12,24H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,15-,17-,18-,19-/m0/s1 InChIKey=ASVQHVLLZGDWCW-FQQAFBJJSA-N Bioactivity predicted using molecular docking Predicted ligand of farnesyltransferase (EC 2.5.1.58) (PDB ID: 2H6I) according to the BIOPEP-UWM Virtual (ID 245) Predicted ligand of angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 4C2N) according to the BIOPEP-UWM Virtual database (ID 262) Predicted ligand of cyclooxygenase-2 (COX-2) (EC 1.14.99.1) (PDB ID: 5K1R) according to the BIOPEP-UWM Virtual database (ID 284) |
| Database reference: |
| BIOPEP-UWM Virtual database: ID 245; 262; 284 |