BIOPEP-UWM: Report

ID 448
Name Dipeptidyl peptidase IV inhibitor
sequence
RTPLDELKDTR
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 1343.4820 Monoisotopic mass 1342.7182
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])(CCCNC(=N)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N1[C@@]([H])(CCC1)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/C56H98N18O20/c1-26(2)22-34(47(86)65-31(13-7-8-18-57)45(84)69-37(25-41(81)82)50(89)72-42(28(5)75)52(91)67-33(54(93)94)14-10-20-64-56(61)62)68-46(85)32(16-17-39(77)78)66-49(88)36(24-40(79)80)70-48(87)35(23-27(3)4)71-51(90)38-15-11-21-74(38)53(92)43(29(6)76)73-44(83)30(58)12-9-19-63-55(59)60/h26-38,42-43,75-76H,7-25,57-58H2,1-6H3,(H,65,86)(H,66,88)(H,67,91)(H,68,85)(H,69,84)(H,70,87)(H,71,90)(H,72,89)(H,73,83)(H,77,78)(H,79,80)(H,81,82)(H,93,94)(H4,59,60,63)(H4,61,62,64)/t28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,42+,43+/m1/s1

InChIKey=DRGHCXKOCIDDQK-ZUKJQWLKSA-N


Bioactivity predicted by molecular docking


Database reference: