BIOPEP-UWM: Report

ID 439
Name Dipeptidyl peptidase IV inhibitor
sequence
IMEQQQTEDEQQDK
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 1749.8046 Monoisotopic mass 1748.7496
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])(CCSC)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/C69H112N20O31S/c1-5-30(2)54(76)67(117)84-40(25-27-121-4)63(113)82-37(14-22-49(96)97)59(109)78-32(9-17-44(71)91)56(106)77-34(11-19-46(73)93)58(108)81-36(13-21-48(75)95)64(114)89-55(31(3)90)68(118)85-39(16-24-51(100)101)62(112)87-42(28-52(102)103)65(115)83-38(15-23-50(98)99)60(110)79-33(10-18-45(72)92)57(107)80-35(12-20-47(74)94)61(111)88-43(29-53(104)105)66(116)86-41(69(119)120)8-6-7-26-70/h30-43,54-55,90H,5-29,70,76H2,1-4H3,(H2,71,91)(H2,72,92)(H2,73,93)(H2,74,94)(H2,75,95)(H,77,106)(H,78,109)(H,79,110)(H,80,107)(H,81,108)(H,82,113)(H,83,115)(H,84,117)(H,85,118)(H,86,116)(H,87,112)(H,88,111)(H,89,114)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,119,120)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,54-,55-/m0/s1

InChIKey=HJTNRPRTCOSRSY-XBXMNVMASA-N


Bioactivity predicted by molecular docking


Database reference: