Focused On-demand Library for Inorganic pyrophosphatase 2, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Pyrophosphatase SID6-306; Pyrophosphate phospho-hydrolase 2

Alternative UPACC:

Q9H2U2; B4DLP7; F8WDN9; I6L9B6; Q4W5E9; Q6PG51; Q8TBW0; Q96E55; Q9H0T0; Q9NX37; Q9P033; Q9ULX0


Inorganic pyrophosphatase 2, mitochondrial, also known as Pyrophosphatase SID6-306 and Pyrophosphate phospho-hydrolase 2, plays a pivotal role in the hydrolysis of inorganic pyrophosphate. This activity is crucial for the regulation of mitochondrial membrane potential, alongside maintaining mitochondrial organization and function.

Therapeutic significance:

Linked to sudden cardiac failure, both alcohol-induced and infantile, this protein's mutations underscore its critical role in cardiac health. Understanding the role of Inorganic pyrophosphatase 2, mitochondrial could open doors to potential therapeutic strategies for these life-threatening conditions.

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