BIOPEP-UWM: Report

ID 598
Name ACE inhibitor
sequence
MKV
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 376.5145 Monoisotopic mass 376.2137
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])(CCSC)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)O

InChI=1S/C16H32N4O4S/c1-10(2)13(16(23)24)20-15(22)12(6-4-5-8-17)19-14(21)11(18)7-9-25-3/h10-13H,4-9,17-18H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-/m0/s1

InChIKey=WTHGNAAQXISJHP-AVGNSLFASA-N


Activity predicted using QSAR


Database reference:
ChEBI: ID 160923

Metabolomics Workbench: ID 84095

PubChem: CID 145457008

UniChem: ID 176705529

Wikidata: ID Q106015138