BIOPEP-UWM: Report

ID 287
Name Dipeptidyl peptidase IV inhibitor
sequence
QIGL
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 3Q8W)
 
Number of residues
4
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 429.5097 Monoisotopic mass 429.2579
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: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)O

InChI=1S/C19H35N5O6/c1-5-11(4)16(24-17(27)12(20)6-7-14(21)25)18(28)22-9-15(26)23-13(19(29)30)8-10(2)3/h10-13,16H,5-9,20H2,1-4H3,(H2,21,25)(H,22,28)(H,23,26)(H,24,27)(H,29,30)/t11-,12-,13-,16-/m0/s1

InChIKey=MYJIGGMBLNWNGN-QCQGSNGOSA-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 263)
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 278)


Database reference:
BIOPEP-UWM Virtual database: ID 263; 278