Focused On-demand Library for Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.







Alternative names:

ADPRibase-Mn; CDP-choline phosphohydrolase

Alternative UPACC:

Q3LIE5; A8K9B4; D3DTS4; Q9BVD4; Q9NRU8


The Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase, also known as ADPRibase-Mn and CDP-choline phosphohydrolase, plays a crucial role in cellular processes by hydrolyzing ADP-ribose, IDP-ribose, and various CDP-alcohols. Its activity suggests a significant function in immune cell signaling through the modulation of ADP-ribose levels, which in turn can activate TRPM2 channels, key mediators of oxidative and nitrosative stress responses.

Therapeutic significance:

Understanding the role of Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase could open doors to potential therapeutic strategies, particularly in modulating immune responses and managing conditions associated with oxidative stress.

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