Focused On-demand Library for Serine/threonine-protein phosphatase PGAM5, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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:

Bcl-XL-binding protein v68; Phosphoglycerate mutase family member 5

Alternative UPACC:

Q96HS1; A9LN06; C9IZY7; Q96JB0


Serine/threonine-protein phosphatase PGAM5, mitochondrial, known alternatively as Bcl-XL-binding protein v68 and Phosphoglycerate mutase family member 5, showcases phosphatase activity for serine/threonine residues. It plays a pivotal role in dephosphorylating and activating MAP3K5 kinase, despite lacking phosphoglycerate mutase activity. PGAM5 emerges as a regulator of mitochondrial dynamics, acting as a substrate for a KEAP1-dependent ubiquitin ligase complex and repressing NFE2L2-dependent gene expression. It serves as a central mediator for programmed necrosis induced by TNF, reactive oxygen species, and calcium ionophore.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase PGAM5 could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.