BIOPEP-UWM: Report

ID 405
Name Dipeptidyl peptidase IV inhibitor
sequence
SDIPNPIGSENSEKTTMPLW
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
20
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 2216.4187 Monoisotopic mass 2215.0431
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])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)NCC(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)C(=O)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/C96H150N24O34S/c1-10-46(5)74(114-89(146)67-24-17-32-119(67)94(151)61(38-69(100)127)111-88(145)66-23-18-33-120(66)95(152)75(47(6)11-2)115-84(141)60(39-73(133)134)108-78(135)52(98)42-121)90(147)102-41-70(128)103-63(43-122)85(142)105-56(26-28-72(131)132)80(137)109-59(37-68(99)126)83(140)113-64(44-123)86(143)106-55(25-27-71(129)130)79(136)104-54(21-14-15-30-97)81(138)116-77(49(8)125)92(149)117-76(48(7)124)91(148)107-57(29-34-155-9)93(150)118-31-16-22-65(118)87(144)110-58(35-45(3)4)82(139)112-62(96(153)154)36-50-40-101-53-20-13-12-19-51(50)53/h12-13,19-20,40,45-49,52,54-67,74-77,101,121-125H,10-11,14-18,21-39,41-44,97-98H2,1-9H3,(H2,99,126)(H2,100,127)(H,102,147)(H,103,128)(H,104,136)(H,105,142)(H,106,143)(H,107,148)(H,108,135)(H,109,137)(H,110,144)(H,111,145)(H,112,139)(H,113,140)(H,114,146)(H,115,141)(H,116,138)(H,117,149)(H,129,130)(H,131,132)(H,133,134)(H,153,154)/t46-,47-,48+,49+,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,74-,75-,76-,77-/m0/s1

InChIKey=SWHPTJDJFLCSTC-SFAMIGRPSA-N


Bioactivity predicted by molecular docking


Database reference: