BIOPEP-UWM: Report

ID 436
Name Dipeptidyl peptidase IV inhibitor
sequence
ENIDELKDTR
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
10
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1232.2944 Monoisotopic mass 1231.6024
EC50 :
0.00 µM


Bibliographic data:
Authors
Mudgil P., Gan C.-Y., Yap P.-G., Redha A. A., Reem H., Alsaadi S., Mohteshamuddin K., Aguilar-Toalá J. E., Vidal-Limon A. M., Liceaga A. M., Maqsood S.
Title
Exploring the dipeptidyl peptidase IV inhibitory potential of probiotic-fermented milk: An in vitro and in silico comprehensive investigation into peptides from milk of different farm animals. J. Dairy Sci., 107, 10153-10173, 2024
Year Source
2024 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C50H85N15O21/c1-6-23(4)38(64-45(81)30(19-33(53)67)60-40(76)25(52)12-14-34(68)69)47(83)63-31(20-36(72)73)44(80)58-27(13-15-35(70)71)42(78)61-29(18-22(2)3)43(79)57-26(10-7-8-16-51)41(77)62-32(21-37(74)75)46(82)65-39(24(5)66)48(84)59-28(49(85)86)11-9-17-56-50(54)55/h22-32,38-39,66H,6-21,51-52H2,1-5H3,(H2,53,67)(H,57,79)(H,58,80)(H,59,84)(H,60,76)(H,61,78)(H,62,77)(H,63,83)(H,64,81)(H,65,82)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,85,86)(H4,54,55,56)/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,38-,39-/m0/s1

InChIKey=FELHHUSZVWAPSP-ZNEPIJRCSA-N


Bioactivity predicted by molecular docking


Database reference: