BIOPEP-UWM: Report

ID 286
Name Dipeptidyl peptidase IV inhibitor
sequence
PIL
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 3Q8W)
 
Number of residues
3
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 341.4445 Monoisotopic mass 341.2307
EC50 :
0.00 µM


Bibliographic data:
Authors
Fatoki T. H., Aluko R. E., Udenigwe C. C.
Title
In silico investigation of molecular targets, pharmacokinetics, and biological activities of chicken egg ovalbumin protein hydrolysates. J. Food Bioact., 17, 34–48, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


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

InChI=1S/C17H31N3O4/c1-5-11(4)14(20-15(21)12-7-6-8-18-12)16(22)19-13(17(23)24)9-10(2)3/h10-14,18H,5-9H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t11-,12-,13-,14-/m0/s1

InChIKey=VZKBJNBZMZHKRC-XUXIUFHCSA-N


Bioactivity predicted by molecular docking


Predicted ligand of angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: S09.003) (PDB ID: 4C2N) according to the BIOPEP-UWM Virtual database (ID 260)
Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual database (ID 276)


Database reference:
BIOPEP-UWM Virtual database: ID 260; 276

ChEBI: ID 162397

Metabolomics Workbench: ID 84846

PubChem: CID 145457495