Focused On-demand Library for Polyamine-transporting ATPase 13A3

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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:

ATPase family homolog up-regulated in senescence cells 1; Putrescine transporting ATPase

Alternative UPACC:

Q9H7F0; Q8NC11; Q96KS1


Polyamine-transporting ATPase 13A3, also known as ATPase family homolog up-regulated in senescence cells 1 and Putrescine transporting ATPase, plays a crucial role in cellular processes by facilitating the ATP-driven transport of the polyamine precursor putrescine from the endosomal compartment to the cytosol. This action is vital for maintaining cellular polyamine levels and supporting cell growth and proliferation.

Therapeutic significance:

The protein's involvement in primary pulmonary hypertension, specifically the autosomal recessive form PPH5, highlights its potential as a therapeutic target. This condition, characterized by elevated pulmonary arterial pressure and early childhood mortality, underscores the urgent need for innovative treatment strategies. Understanding the role of Polyamine-transporting ATPase 13A3 could open doors to potential therapeutic strategies.

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