BIOPEP-UWM: Report

ID 625
Name ACE inhibitor
sequence
QSL

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 346.3784 Monoisotopic mass 346.1846
EC50 :
0.00 µM



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])(CC(C)C)C(=O)O

InChI=1S/C14H26N4O6/c1-7(2)5-9(14(23)24)17-13(22)10(6-19)18-12(21)8(15)3-4-11(16)20/h7-10,19H,3-6,15H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t8-,9-,10-/m0/s1

InChIKey=LPIKVBWNNVFHCQ-GUBZILKMSA-N


Activity predicted using QSAR



Database reference:
ChEBI: ID 162474

J-GLOBAL: ID 200907065365149776

Metabolomics Workbench: ID 81366

Nikkaji: ID J2.110.550C

PubChem: CID 101359642

SureChEMBL: ID 29381184

UniChem: ID 96952448

Wikidata: ID Q106028074