BIOPEP-UWM: Report
| ID | 606 |
| Name | ACE inhibitor |
| sequence |
| Function: | |||
| Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) | |||
| Number of residues | 3 |
Activity code | ah |
| Activity : | ACE inhibitor |
|||
| Chemical mass | 419.4307 | Monoisotopic mass | 419.1799 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Gu J., Yue S., Yang X., Lu Z., Wang Z., Wei X., Zhou L., Zhao Z., Shi Z., Zhao Z. | |
| Title | |
| Unlocking novel angiotensin-converting enzyme inhibitory peptides from Nili Ravi buffalo milk β-casein: A synergistic strategy combining targeted hydrolysis, 3D-QSAR modeling, and mechanistic insights. Food Biosci., 71, 107346, 2025 | |
| Year | Source |
| 2025 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O InChI=1S/C19H25N5O6/c20-12(5-6-16(21)26)17(27)24-15(9-25)18(28)23-14(19(29)30)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,25H,5-7,9,20H2,(H2,21,26)(H,23,28)(H,24,27)(H,29,30)/t12-,14-,15-/m0/s1 InChIKey=QENSHQJGWGRPQS-QEJZJMRPSA-N Activity predicted using QSAR Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7) according to the BIOPEP-UWM Virtual database (ID 55) |
| Database reference: |
| BIOPEP-UWM Virtual database: ID 55 ChEBI: ID 162488 ChemSpider: ID 61710871 J-GLOBAL: ID 200907062591753202 Metabolomics Workbench: ID 81373 MMDB: ID 128381 Nikkaji: ID J2.110.552J PubChem: CID 91667417 UniChem: ID 97534941 Wikidata: ID Q76805839 |