BIOPEP-UWM: Report
| ID | 275 |
| 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 | 3 |
Activity code | xiap |
| Activity : | XIAP inhibitor |
|||
| Chemical mass | 319.3548 | Monoisotopic mass | 319.1527 | |
| 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: N1[C@@]([H])(CCC1)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O InChI=1S/C16H21N3O4/c20-14(10-18-15(21)12-7-4-8-17-12)19-13(16(22)23)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,17H,4,7-10H2,(H,18,21)(H,19,20)(H,22,23)/t12-,13-/m0/s1 InChIKey=XQSREVQDGCPFRJ-STQMWFEESA-N Bioactivity predicted using molecular docking 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 261) Predicted ligand of cyclooxygenase-2 (COX-2) (EC 1.14.99.1) (PDB ID: 5K1R) according to the BIOPEP-UWM Virtual database (ID 282) |
| Database reference: |
| BIOPEP-UWM Virtual database: ID 261, 282 ChEBI: ID 162323 Metabolomics Workbench: ID 84809 PubChem: CID 129635908 |