BIOPEP-UWM: Report

ID 694
Name ACE inhibitor
sequence
VWF
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 450.5289 Monoisotopic mass 450.2260
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)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21-,22-/m0/s1

InChIKey=LZRWTJSPTJSWDN-FKBYEOEOSA-N


Bioactivity predicted by molecular docking


Database reference:
ChEBI: ID 166406

Metabolomics Workbench: ID 87009

PubChem: CID 145459065

SureChEMBL: ID 30051739

UniChem: ID 176707543

Wikidata: ID Q106025318