PDZ 功能位点库

Designed for discovery of novel PPI inhibitors

40 640 compounds

Having a pivotal role in multiple cellular processes, protein-protein interactions (PPIs) are responsible for the effects linked to the blockage of the substrate binding site. There are numerous examples of drug candidates that were withdrawn from clinical trials due to the unexpected effects of direct antagonists. This fact outlines the importance of developing new potent protein-protein interactions inhibitors.

We have carefully selected 40 640 diverse compounds specifically targeting PPIs. All compounds are stored as dry substances and they can be acquired in diverse custom formats. Using our PPI Library for hit discovery you receive multiple benefits allowing you to save on time and costs in lead generation:

Dry stock of over 4M compounds for hit resupply and hit expansion.
Low-cost synthesis of analogues within only 3 weeks through our REAL Database technology
Medicinal chemistry support enhanced with on-site broad ADME/T panel

You have also an option to screen the Library directly at Enamine. In this case, we will be happy to offer discount on library cost depending on the collaboration scope.

Typical Formats

Catalog No.	Compounds	Compounds	Compounds	Price
PPI-40-Y-0	40 640 127 plates	≤ 300 nL of 2 mM solutions in DMSO	384-well micro plates, Greiner Cat. No. 784201; 1, 2 & 23, 24 columns empty, 320 compounds per plate	Request a quote
PPI-40-Z-5	40 640 32 plates	5 µL of 10 mM DMSO stock solutions	1536-well microplates, Echo Qualified, first four and last four columns empty, 1280 compounds per plate	Request a quote
PPI-40-Y-50	40 640 127 plates	50 µL of 10 mM DMSO solutions	384-well microplates, first two and last two columns empty, 320 compounds per plate	Request a quote
PPI-40	40 640	Custom	Any custom format	Request a quote

下载SD文件

PPI Library 下载

Library code: PPI-40
Version: 29 September 2023
40 640 compounds

Protein Mimetics Library 下载

Library code: PML-8960
Version: 29 September 2023
8 960 compounds
sublibrary of PPI-40

PDZ Domain Library 下载

Version: 4 May 2022
1 920 compounds
sublibrary of PPI-40

Library design

Systemic analysis of available structural data of numerous PPIs allowed us to develop dedicated approach to the library design. We have analyzed more than 20 different protein-protein complexes to highlight specific features of majority of potent inhibitors in this area. Several specific recognition patterns, like α-helix, β-sheet, PDZ-, PBD and bromodomains were used in the library design. As a result of Ligand- and Structure based in silico screening, we created the selection of compounds featuring:

• Specific recognition patterns, including hot spots analysis, key amino acids, secondary/tertiary structures, α-helices, ‘hot loops’ and specific protein domains affinity.

• Lead-like properties and sp³-rich core structural motifs. Compounds passed all including affiliated MedChem filters including PAINS.

• Latest chemistry and novel building blocks. Identified hits can be readily followed with synthesis of new analogs through REAL Database technology.

Examples of scaffolds populating PPI Library

Importantly, our team of experienced computational, synthetic, medicinal chemists and biologists is ready to address your specific needs in tackling protein-protein interaction of your interest. Please, challenge us with your biological concepts, computational ideas and synthetic designs.