BIOPEP-UWM: Report

ID 620
Name ACE inhibitor
sequence
MK
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 277.3838 Monoisotopic mass 277.1455
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)O

InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1

InChIKey=IMTUWVJPCQPJEE-IUCAKERBSA-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 8831)
Inhibitor of ABC-type dipeptide transporter (EC 7.4.2.9) according to the BRENDA database


Database reference:
BIOPEP-UWM database of bioactive peptides: ID 8831

BRENDA: Ligand L-Met-L-Lys

CAS: Registry No 45214-88-8

ChEBI: ID 74706

ChemSpider: ID 5379134

EPA DSSTox: ID DTXSID40426801

HMDB: ID HMDB28978

J-GLOBAL: ID 200907075473717832

Metabolights: ID MTBLC74706

Metabolomics Workbench: ID 78907

Nikkaji: ID J151.287K

PubChem: CID 7016112

SureChEMBL: ID 29376623

UniChem: ID 25665864

Wikidata: ID Q27144844

ZINC: ID ZINC000002522671