BIOPEP-UWM: Report

ID 637
Name ACE inhibitor
sequence
MA
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 220.2897 Monoisotopic mass 220.0878
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](C)C(=O)O

InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1

InChIKey=JHKXZYLNVJRAAJ-WDSKDSINSA-N


Activity predicted using QSAR


Inhibitor of citrulline uptake in yeasts according to the ChEMBL database
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 3173)


Database reference:
AHTPDB: ID 6969

BIOPEP-UWM database of bioactive peptides: ID 3173

BRENDA: Ligand Met-Ala

CAS: REgistry No 3061-96-9

ChEBI: ID 73610

ChEMBL: ID CHEMBL1222161

ChemSpider: ID 5373160

EROP-Moscow: ID E09229

FooDB: ID FDB098217

HMDB: ID HMDB0028966

J-GLOBAL: ID 200907081200481119

MetaboLights: ID MTBLC73610

Metabolomics Workbench: ID 78896

Nikkaji: ID J149.659J

NMRShiftDB: ID 60023567

PlantPepDB: ID PPepDB_2930

PubChem: CID 7009581

Rhea: ID 37327; 37331

SATPdb: ID satpdb16151

SureChEMBL: ID SCHEMBL2875974

UniChem: ID 653240

Wikidata: ID Q27141919

ZINC: ID ZINC000002384801