BIOPEP-UWM: Report

ID 393
Name Dipeptidyl peptidase IV inhibitor
sequence
YQEPVLGPVRGPFPIIV
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
17
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 1881.2151 Monoisotopic mass 1880.0527
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](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/C91H141N21O22/c1-13-52(11)74(87(130)108-75(53(12)14-2)86(129)106-73(51(9)10)90(133)134)107-83(126)66-29-22-42-112(66)89(132)62(45-54-23-16-15-17-24-54)103-80(123)63-26-19-39-109(63)68(115)46-97-77(120)58(25-18-38-96-91(94)95)100-84(127)71(49(5)6)104-81(124)64-27-20-40-110(64)69(116)47-98-78(121)61(43-48(3)4)102-85(128)72(50(7)8)105-82(125)65-28-21-41-111(65)88(131)60(35-37-70(117)118)101-79(122)59(34-36-67(93)114)99-76(119)57(92)44-55-30-32-56(113)33-31-55/h15-17,23-24,30-33,48-53,57-66,71-75,113H,13-14,18-22,25-29,34-47,92H2,1-12H3,(H2,93,114)(H,97,120)(H,98,121)(H,99,119)(H,100,127)(H,101,122)(H,102,128)(H,103,123)(H,104,124)(H,105,125)(H,106,129)(H,107,126)(H,108,130)(H,117,118)(H,133,134)(H4,94,95,96)/t52-,53-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-/m0/s1

InChIKey=SSIOTIXYEMBPGK-ZZQCOUFISA-N


Bioactivity predicted by molecular docking


Database reference: