BIOPEP-UWM: Report

ID 397
Name Dipeptidyl peptidase IV inhibitor
sequence
RELEELNVPGE
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 1284.3688 Monoisotopic mass 1283.6336
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)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)O

InChI=1S/C97H152N22O23/c1-15-56(13)79(93(138)115-80(57(14)16-2)92(137)113-78(55(11)12)96(141)142)114-89(134)71-31-24-44-119(71)95(140)67(48-58-25-18-17-19-26-58)110-86(131)68-28-21-41-116(68)73(122)49-103-82(127)62(27-20-40-102-97(100)101)106-90(135)76(53(7)8)111-87(132)69-29-22-42-117(69)74(123)50-104-83(128)65(46-52(5)6)109-91(136)77(54(9)10)112-88(133)70-30-23-43-118(70)94(139)64(37-39-75(124)125)107-84(129)63(36-38-72(99)121)105-85(130)66(47-59-32-34-60(120)35-33-59)108-81(126)61(98)45-51(3)4/h17-19,25-26,32-35,51-57,61-71,76-80,120H,15-16,20-24,27-31,36-50,98H2,1-14H3,(H2,99,121)(H,103,127)(H,104,128)(H,105,130)(H,106,135)(H,107,129)(H,108,126)(H,109,136)(H,110,131)(H,111,132)(H,112,133)(H,113,137)(H,114,134)(H,115,138)(H,124,125)(H,141,142)(H4,100,101,102)/t56-,57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-,80-/m0/s1

InChIKey=FRZXNAHLZPLATK-GSYGDINKSA-N


Bioactivity predicted by molecular docking


Database reference: