BIOPEP-UWM: Report

ID 438
Name Dipeptidyl peptidase IV inhibitor
sequence
IEEQQQTEDEQQDK
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
14
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1747.7215 Monoisotopic mass 1746.7517
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])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)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@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C69H110N20O33/c1-4-29(2)54(76)67(119)84-38(15-24-50(100)101)61(113)82-36(13-22-48(96)97)59(111)78-31(8-17-43(71)91)56(108)77-33(10-19-45(73)93)58(110)81-35(12-21-47(75)95)64(116)89-55(30(3)90)68(120)85-39(16-25-51(102)103)63(115)87-41(27-52(104)105)65(117)83-37(14-23-49(98)99)60(112)79-32(9-18-44(72)92)57(109)80-34(11-20-46(74)94)62(114)88-42(28-53(106)107)66(118)86-40(69(121)122)7-5-6-26-70/h29-42,54-55,90H,4-28,70,76H2,1-3H3,(H2,71,91)(H2,72,92)(H2,73,93)(H2,74,94)(H2,75,95)(H,77,108)(H,78,111)(H,79,112)(H,80,109)(H,81,110)(H,82,113)(H,83,117)(H,84,119)(H,85,120)(H,86,118)(H,87,115)(H,88,114)(H,89,116)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,121,122)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,54-,55-/m0/s1

InChIKey=MXVGEZSVKGRXCW-KUQDQDDTSA-N


Bioactivity predicted by molecular docking


Database reference: