BIOPEP-UWM: Report

ID 156
Name DPPIV inhibitor
sequence
LPQQQAQFK
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 5I7U)
 
Number of residues
9
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1087.2259 Monoisotopic mass 1086.5804
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)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C49H78N14O14/c1-26(2)24-29(51)48(75)63-23-9-13-36(63)47(74)60-33(17-21-40(55)67)44(71)59-32(16-20-39(54)66)43(70)58-30(14-18-37(52)64)42(69)56-27(3)41(68)57-31(15-19-38(53)65)45(72)62-35(25-28-10-5-4-6-11-28)46(73)61-34(49(76)77)12-7-8-22-50/h4-6,10-11,26-27,29-36H,7-9,12-25,50-51H2,1-3H3,(H2,52,64)(H2,53,65)(H2,54,66)(H2,55,67)(H,56,69)(H,57,68)(H,58,70)(H,59,71)(H,60,74)(H,61,73)(H,62,72)(H,76,77)/t27-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1

InChIKey=NITJCZOTDYKAKZ-AYHLBJPBSA-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 153