BIOPEP-UWM: Report

ID 693
Name ACE inhibitor
sequence
CDF
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 383.4197 Monoisotopic mass 383.1146
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])(CS)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C16H21N3O6S/c17-10(8-26)14(22)18-11(7-13(20)21)15(23)19-12(16(24)25)6-9-4-2-1-3-5-9/h1-5,10-12,26H,6-8,17H2,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t10-,11-,12-/m0/s1

InChIKey=IIGHQOPGMGKDMT-SRVKXCTJSA-N


Bioactivity predicted by molecular docking


Database reference:
ChEBI: ID 161210

Metabolomics Workbench: ID 80729

PubChem: CID 145454681

UniChem: ID 176703250

Wikidata: ID Q106015474