BIOPEP-UWM: Report

ID 394
Name Dipeptidyl peptidase IV inhibitor
sequence
LYQEPVLGPVRGPFP
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
15
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1668.9272 Monoisotopic mass 1667.9007
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])(CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)O

InChI=1S/C80H121N19O20/c1-43(2)37-50(81)67(106)91-55(39-48-24-26-49(100)27-25-48)71(110)88-52(28-30-61(82)101)70(109)90-53(29-31-64(104)105)77(116)98-35-15-22-59(98)74(113)95-66(46(7)8)76(115)92-54(38-44(3)4)69(108)87-42-63(103)97-34-14-21-58(97)73(112)94-65(45(5)6)75(114)89-51(19-12-32-85-80(83)84)68(107)86-41-62(102)96-33-13-20-57(96)72(111)93-56(40-47-17-10-9-11-18-47)78(117)99-36-16-23-60(99)79(118)119/h9-11,17-18,24-27,43-46,50-60,65-66,100H,12-16,19-23,28-42,81H2,1-8H3,(H2,82,101)(H,86,107)(H,87,108)(H,88,110)(H,89,114)(H,90,109)(H,91,106)(H,92,115)(H,93,111)(H,94,112)(H,95,113)(H,104,105)(H,118,119)(H4,83,84,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

InChIKey=DQDOOWDWSAJMQO-PESHVMSASA-N


Bioactivity predicted by molecular docking


Database reference: