BIOPEP-UWM: Report

ID 155
Name DPPIV inhibitor
sequence
LNFDPNR
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 5I7U)
 
Number of residues
7
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 874.9380 Monoisotopic mass 874.4284
EC50 :
0.00 µM


Bibliographic data:
Authors
Wenhui T., Shumin H., Yongliang Z., Liping S., Hua Y.
Title
Identification of in vitro angiotensin-converting enzyme and dipeptidyl peptidase IV inhibitory peptides from draft beer by virtual screening and molecular docking. J. Sci. Food Agric., 102, 1085-1094, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C38H58N12O12/c1-19(2)14-21(39)31(55)46-24(16-28(40)51)34(58)47-23(15-20-8-4-3-5-9-20)32(56)49-26(18-30(53)54)36(60)50-13-7-11-27(50)35(59)48-25(17-29(41)52)33(57)45-22(37(61)62)10-6-12-44-38(42)43/h3-5,8-9,19,21-27H,6-7,10-18,39H2,1-2H3,(H2,40,51)(H2,41,52)(H,45,57)(H,46,55)(H,47,58)(H,48,59)(H,49,56)(H,53,54)(H,61,62)(H4,42,43,44)/t21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey=MADOKIJUOVLRMG-DUJSLOSMSA-N


Bioactivity predicted by molecular docking


Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O86) according to the BIOPEP-UWM Virtual database


Database reference:
BIOPEP-UWM Virtual database: ID 152