BIOPEP-UWM: Report

ID 697
Name ACE inhibitor
sequence
CVY
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 383.4626 Monoisotopic mass 383.1509
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])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C17H25N3O5S/c1-9(2)14(20-15(22)12(18)8-26)16(23)19-13(17(24)25)7-10-3-5-11(21)6-4-10/h3-6,9,12-14,21,26H,7-8,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1

InChIKey=WVWRADGCZPIJJR-IHRRRGAJSA-N


Bioactivity predicted by molecular docking


Database reference:
ChEBI: ID 161856

Metabolomics Workbench: ID 81054

PubChem: CID 145454946

UniChem: ID 176703514

Wikidata: ID Q106016252