BIOPEP-UWM: Report

ID 445
Name Dipeptidyl peptidase IV inhibitor
sequence
CHNLDELKDTR
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
11
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1343.4635 Monoisotopic mass 1342.6279
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])(CS)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C54H90N18O20S/c1-24(2)15-32(46(84)63-29(9-6-7-13-55)44(82)70-37(20-41(79)80)51(89)72-42(26(5)73)52(90)65-31(53(91)92)10-8-14-61-54(58)59)67-45(83)30(11-12-39(75)76)64-50(88)36(19-40(77)78)71-47(85)33(16-25(3)4)68-49(87)35(18-38(57)74)69-48(86)34(17-27-21-60-23-62-27)66-43(81)28(56)22-93/h21,23-26,28-37,42,73,93H,6-20,22,55-56H2,1-5H3,(H2,57,74)(H,60,62)(H,63,84)(H,64,88)(H,65,90)(H,66,81)(H,67,83)(H,68,87)(H,69,86)(H,70,82)(H,71,85)(H,72,89)(H,75,76)(H,77,78)(H,79,80)(H,91,92)(H4,58,59,61)/t26-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,42+/m1/s1

InChIKey=YCZKHYDXAVJVDF-GXMLADNPSA-N


Bioactivity predicted by molecular docking


Database reference: