DPP4 Targeted Library
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DPP4 Targeted Library

DPP4 Focused LibraryDipeptidyl peptidase-4 (DPP4), also known as adenosine deaminase binding protein or cluster of differentiation 26 (CD26), is a serine exopeptidase able to recognizes an amino acid sequence having proline at the N-terminal penultimate position and inactivate this oligopeptides through the removal of N-terminal proline dipeptides [1, 2].

DPP4 plays a major role in glucose metabolism. Animal studies suggest dipeptidyl peptidase 4 pathogenetic role in development of fibrosis of various organs, such as liver and kidney [3, 4]. Therefore, DPP 4 is an important target for developed anti-diabetic reagents and treatment of fibrosis of liver and kidney. [5-8]. Nowadays DPP 4 inhibitors using in type 2 diabetes treatment.
Our DPP4 Targeted Library (575 compounds in total) is a special screening collection containing compounds with predicted DPP4 inhibiting activity. The library has been carefully designed with combined approach that included application of two independent pharmacophore models and molecular docking. The first model was based on superposition of seven crystals (complexes of dipeptidyl peptidase-4 with inhibitors) with the best resolutions (PDB ID: 2G5T, 3VJM, 3NOX, 3KWF, 2QJR, 3HAB, 2IIP). The second one was a 3D-pharmacophore model developed with training set of known DPP4 inhibitors taken from ChEMBL database. Overlapping top-scored compounds resulted from application of both models were further docked in crystal structure of human DPP4 (PDB ID: 1X70). Final selection of compounds has been made with docking score cut-off filtering, inspection of intermolecular hydrophobic contacts and hydrogen bonds with key active sites residues. 

This library comprises drug-like compounds only.


All compounds are in stock, cherry-picking is available.


The library (DB, SD, XLS, PDF format) as well as the price-list is available on request. Feel free to contact us or use on-line form below to send an inquiry if you are interested to obtain this library or if you need more information.



1. Kameoka J, Tanaka T, Nojima Y, Schlossman SF, Morimoto C, Direct association of adenosine deaminase with a T cell activation antigen, CD26, Science, 261, 1993, pp. 466–469.
2. Kathleen Aertgeerts, Sheng Ye, Mike G. Tennant, Michelle L. Kraus, Joe Rogers, Bi-Ching Sang, Robert J. Skene, David R. Webb, and G. Sridhar Prasad, Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation, Protein Science, 13, 2004, pp. 412–421.
3. Kaji K, Yoshiji H, Ikenaka Y, Noguchi R, Aihara Y, Douhara A et al, Dipeptidyl peptidase-4 inhibitor attenuates hepatic fibrosis via suppression of activated hepatic stellate cell in rats, Journal of Gastroenterology 49 (3), 2014, pp. 481–91. 
4. Jump up Min HS, Kim JE, Lee MH, Song HK, Kang YS, Lee MJ et al, Dipeptidyl peptidase IV inhibitor protects against renal interstitial fibrosis in a mouse model of ureteral obstruction, Laboratory Investigation; A Journal of Technical Methods and Pathology 94 (6), 2014, pp. 598–607.
5. Barnett A, DPP-4 inhibitors and their potential role in the management of type 2 diabetes, International Journal of Clinical Practice 60 (11), 2006, pp. 1454–70.
6. Tomohiro Yoshida at all, Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes, Bioorg. Med. Chem. 20, 2012, pp. 5705–5719.
7. Yin R, Xu Y, Wang X, Yang L, Zhao D., Role of Dipeptidyl Peptidase 4 Inhibitors in Antidiabetic Treatment. Molecules. May 10;27(10), 2022, pp. 3055.
8. Ohm B, Moneke I, Jungraithmayr W., Targeting cluster of differentiation 26 / dipeptidyl peptidase 4 (CD26/DPP4) in organ fibrosis. Br J Pharmacol. Oct 4, 2022.

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