BIOPEP-UWM: Report

ID 410
Name Dipeptidyl peptidase IV inhibitor
sequence
IDNLAAGLVGGAGVVPGE
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
18
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1608.7862 Monoisotopic mass 1607.8491
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])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@]([H])(C)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C70H117N19O24/c1-16-36(12)54(72)66(108)85-44(25-53(98)99)63(105)84-43(24-46(71)90)62(104)83-42(23-32(4)5)61(103)80-39(15)60(102)79-38(14)59(101)74-28-50(94)82-41(22-31(2)3)64(106)87-55(33(6)7)67(109)77-26-47(91)73-27-48(92)78-37(13)58(100)75-30-51(95)86-56(34(8)9)68(110)88-57(35(10)11)69(111)89-21-17-18-45(89)65(107)76-29-49(93)81-40(70(112)113)19-20-52(96)97/h31-45,54-57H,16-30,72H2,1-15H3,(H2,71,90)(H,73,91)(H,74,101)(H,75,100)(H,76,107)(H,77,109)(H,78,92)(H,79,102)(H,80,103)(H,81,93)(H,82,94)(H,83,104)(H,84,105)(H,85,108)(H,86,95)(H,87,106)(H,88,110)(H,96,97)(H,98,99)(H,112,113)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1

InChIKey=LIQXHIWFNFQYDP-KXZFWKKKSA-N


Bioactivity predicted by molecular docking


Database reference: