BIOPEP-UWM: Report

ID 403
Name Dipeptidyl peptidase IV inhibitor
sequence
SEKTTMPLW
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
9
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1092.2634 Monoisotopic mass 1091.5303
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])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCSC)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C49H77N11O15S/c1-25(2)21-35(44(69)57-36(49(74)75)22-28-23-52-31-12-7-6-11-29(28)31)56-45(70)37-14-10-19-60(37)48(73)34(17-20-76-5)55-46(71)39(26(3)62)59-47(72)40(27(4)63)58-43(68)32(13-8-9-18-50)54-42(67)33(15-16-38(64)65)53-41(66)30(51)24-61/h6-7,11-12,23,25-27,30,32-37,39-40,52,61-63H,8-10,13-22,24,50-51H2,1-5H3,(H,53,66)(H,54,67)(H,55,71)(H,56,70)(H,57,69)(H,58,68)(H,59,72)(H,64,65)(H,74,75)/t26-,27-,30+,32+,33+,34+,35+,36+,37+,39+,40+/m1/s1

InChIKey=MJPXEWBGKZQTFQ-IMHUTUBHSA-N


Bioactivity predicted by molecular docking


Database reference: