BIOPEP-UWM: Report

ID 13
Name DPPIV inhibitor
sequence
GPPKVAPGKDISASFGGEWL
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 1PFQ)
 
Number of residues
20
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 2013.2469 Monoisotopic mass 2012.0334
EC50 :
0.00 µM


Bibliographic data:
Authors
Garzón A. G., Veras F. F., Brandelli A., Drago S. R.
Title
Purification, identification and in silico studies of antioxidant, antidiabetogenic and antibacterial peptides obtained from sorghum spent grain hydrolysate. LWT, 153, 112414, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: NCC(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)NCC(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)NCC(=O)NCC(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CC(C)C)C(=O)O

InChI=1S/C93H141N23O27/c1-9-51(6)77(113-84(133)63(41-75(125)126)108-80(129)58(26-15-17-33-94)103-72(121)46-100-87(136)67-28-19-36-115(67)91(140)53(8)102-89(138)76(50(4)5)112-82(131)59(27-16-18-34-95)105-88(137)68-29-20-37-116(68)92(141)69-30-21-35-114(69)73(122)42-96)90(139)111-65(47-117)85(134)101-52(7)78(127)110-66(48-118)86(135)106-61(39-54-22-11-10-12-23-54)79(128)99-44-70(119)98-45-71(120)104-60(31-32-74(123)124)81(130)107-62(83(132)109-64(93(142)143)38-49(2)3)40-55-43-97-57-25-14-13-24-56(55)57/h10-14,22-25,43,49-53,58-69,76-77,97,117-118H,9,15-21,26-42,44-48,94-96H2,1-8H3,(H,98,119)(H,99,128)(H,100,136)(H,101,134)(H,102,138)(H,103,121)(H,104,120)(H,105,137)(H,106,135)(H,107,130)(H,108,129)(H,109,132)(H,110,127)(H,111,139)(H,112,131)(H,113,133)(H,123,124)(H,125,126)(H,142,143)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,76-,77-/m0/s1

InChIKey=RAPAMDBPZUNGDO-NYCBWBEESA-N


Bioactivity predicted using molecular docking


Database reference: