BIOPEP-UWM: Report

ID 611
Name ACE inhibitor
sequence
QT

Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
2
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 247.2477 Monoisotopic mass 247.1164
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])([C@]([H])(O)C)C(=O)O

InChI=1S/C9H17N3O5/c1-4(13)7(9(16)17)12-8(15)5(10)2-3-6(11)14/h4-5,7,13H,2-3,10H2,1H3,(H2,11,14)(H,12,15)(H,16,17)/t4-,5+,7+/m1/s1

InChIKey=HHSJMSCOLJVTCX-ZDLURKLDSA-N


Activity predicted using QSAR


Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8878)



Database reference:
BIOPEP-UWM database of bioactive peptides: ID 8878

BRENDA: Ligand L-glutaminyl-L-threonine

CAS: Registry No 74408-69-8

ChEBI: ID 183242

EPA DSSTox: ID DTXSID90707339

HMDB: ID HMDB0028807

Metabolomics Workbench: ID 78772

PubChem: CID 53877870

SureChEMBL: ID 4388337

UniChem: ID 26079867

Wikidata: ID Q76728100