Focused On-demand Library for Bis(5'-adenosyl)-triphosphatase ENPP4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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:

AP3A hydrolase; Ectonucleotide pyrophosphatase/phosphodiesterase family member 4

Alternative UPACC:

Q9Y6X5; A8K5G1; Q7L2N1


Bis(5'-adenosyl)-triphosphatase ENPP4, also known as AP3A hydrolase and a member of the ectonucleotide pyrophosphatase/phosphodiesterase family, plays a crucial role in hydrolyzing extracellular Ap3A and Ap4A into AMP, ADP, and ATP. These diadenosine polyphosphates are key in inducing vascular smooth muscle cells proliferation.

Therapeutic significance:

Understanding the role of Bis(5'-adenosyl)-triphosphatase ENPP4 could open doors to potential therapeutic strategies, especially in conditions related to vascular proliferation and thrombosis, by targeting its procoagulant activity and mediation of platelet aggregation.

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