BIOPEP-UWM: Report

ID 395
Name Dipeptidyl peptidase IV inhibitor
sequence
LLYQEPVLGPVRGPFPIIV
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 4A5S)
 
Number of residues
19
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 2107.5295 Monoisotopic mass 2106.2203
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])(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/C103H163N23O24/c1-17-60(15)84(99(146)122-85(61(16)18-2)98(145)120-83(59(13)14)102(149)150)121-95(142)76-33-26-46-126(76)101(148)72(51-62-27-20-19-21-28-62)117-92(139)73-30-23-43-123(73)78(129)52-109-87(134)66(29-22-42-108-103(106)107)112-96(143)81(57(9)10)118-93(140)74-31-24-44-124(74)79(130)53-110-88(135)69(48-55(5)6)116-97(144)82(58(11)12)119-94(141)75-32-25-45-125(75)100(147)68(39-41-80(131)132)113-89(136)67(38-40-77(105)128)111-91(138)71(50-63-34-36-64(127)37-35-63)115-90(137)70(49-56(7)8)114-86(133)65(104)47-54(3)4/h19-21,27-28,34-37,54-61,65-76,81-85,127H,17-18,22-26,29-33,38-53,104H2,1-16H3,(H2,105,128)(H,109,134)(H,110,135)(H,111,138)(H,112,143)(H,113,136)(H,114,133)(H,115,137)(H,116,144)(H,117,139)(H,118,140)(H,119,141)(H,120,145)(H,121,142)(H,122,146)(H,131,132)(H,149,150)(H4,106,107,108)/t60-,61-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-,84-,85-/m0/s1

InChIKey=GLFZHJBBYMDMKI-APGMPPKBSA-N


Bioactivity predicted by molecular docking


Database reference: