BIOPEP-UWM: Report
| ID | 601 |
| 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 | 399.4426 | Monoisotopic mass | 399.1901 | |
| 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](CC1=CN=C[NH]1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O InChI=1S/C20H25N5O4/c21-15(10-14-11-22-12-23-14)19(27)25-8-4-7-17(25)18(26)24-16(20(28)29)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,15-17H,4,7-10,21H2,(H,22,23)(H,24,26)(H,28,29)/t15-,16-,17-/m0/s1 InChIKey=PBVQWNDMFFCPIZ-ULQDDVLXSA-N Activity predicted using QSAR Angiotensin II receptor ligand according to the BindingDB database; the ChEMBL database |
| Database reference: |
| BindingDB: ID BDBM50208103 BRENDA: Ligand His-Pro-Phe CAS: Registry No 31025-44-2 ChEBI: ID CHEBI:157911 ChEMBL: ID CHEMBL385998 EPA DSSTox: ID DTXSID80437698 J-GLOBAL: ID 200907063797982310 Metabolomics Workbench: ID 82549 Nikkaji: ID J2.719.892I PubChem: CID 10272250 SureChEMBL: ID SCHEMBL29649768 UniChem: ID 257302 Wikidata: ID Q76415388 |