Focused On-demand Library for Diphosphoinositol polyphosphate phosphohydrolase 1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 use our state-of-the-art dedicated workflow for designing 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:

Diadenosine hexaphosphate hydrolase; Endopolyphosphatase; Nucleoside diphosphate-linked moiety X motif 3; m7GpppN-mRNA hydrolase; m7GpppX diphosphatase

Alternative UPACC:

O95989; B2R8N4


Diphosphoinositol polyphosphate phosphohydrolase 1, known for its roles in signal transduction and mRNA stability, cleaves beta-phosphate from diphosphate groups in PP-InsP5 and [PP]2-InsP4. It does not act on InsP6 but regulates the ERK1/2 pathway and hydrolyzes dinucleoside oligophosphates like Ap6A and Ap5A, producing ADP and ATP. Its activity is influenced by divalent cations, showcasing specificity towards substrates in the presence of zinc, magnesium, and manganese ions.

Therapeutic significance:

Understanding the role of Diphosphoinositol polyphosphate phosphohydrolase 1 could open doors to potential therapeutic strategies.

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