BIOPEP-UWM: Report

ID 701
Name ACE inhibitor
sequence
APD

Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O86)
 
Number of residues
3
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 301.2950 Monoisotopic mass 301.1269
EC50 :
0.00 µM



Bibliographic data:
Authors
Chen J., Xie R., Mei Y., Chen W., Hu J., Liu H., Du H., Hao G., Ji X., Li S., Zhang J.
Title
Prospecting of novel angiotensin I-converting enzyme inhibitory peptides from bone collagen of Pelodiscus sinensis by computer-aided screening, molecular docking, and network pharmacology. Foods, 15, 663, 2026
Year Source
2026 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)O)C(=O)O

InChI=1S/C12H19N3O6/c1-6(13)11(19)15-4-2-3-8(15)10(18)14-7(12(20)21)5-9(16)17/h6-8H,2-5,13H2,1H3,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1

InChIKey=FQNILRVJOJBFFC-FXQIFTODSA-N


Bioactivity predicted by molecular docking



Database reference:
ChEBI: ID 158449

Metabolomics Workbench: ID 79339

PubChem: CID 145453657

SureChEMBL: ID 30123107

UniChem: ID 176702244

Wikidata: ID Q106012015