Focused On-demand Library for Plasma membrane calcium-transporting ATPase 1

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

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:

Plasma membrane calcium ATPase isoform 1; Plasma membrane calcium pump isoform 1

Alternative UPACC:

P20020; Q12992; Q12993; Q13819; Q13820; Q13821; Q16504; Q93082


Plasma membrane calcium-transporting ATPase 1 (PMCA1) plays a pivotal role in maintaining intracellular calcium homeostasis by transporting calcium from the cytoplasm to the extracellular space. It is involved in various physiological processes, including blood pressure regulation, bone mineralization, insulin sensitivity, and possibly synaptic transmission. The protein is also known as Plasma membrane calcium ATPase isoform 1 and Plasma membrane calcium pump isoform 1.

Therapeutic significance:

PMCA1's involvement in Intellectual developmental disorder, autosomal dominant 66, highlights its potential as a therapeutic target. The disorder is characterized by developmental delays, autism, seizures, and limb abnormalities, with disease severity varying widely. Understanding PMCA1's role could open doors to potential therapeutic strategies for this and related conditions.

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