Focused On-demand Library for Histone-lysine N-methyltransferase SUV39H2

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 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 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.

Our high-tech, dedicated method is applied to construct targeted 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:

Histone H3-K9 methyltransferase 2; Lysine N-methyltransferase 1B; Suppressor of variegation 3-9 homolog 2

Alternative UPACC:

Q9H5I1; D3DRT4; Q5JSS4; Q5JSS5; Q6I9Y3; Q8ND06


Histone-lysine N-methyltransferase SUV39H2, also known as Histone H3-K9 methyltransferase 2, plays a pivotal role in chromatin structure and function. It specifically trimethylates 'Lys-9' of histone H3, a key epigenetic marker for transcriptional repression, and is crucial for the formation of constitutive heterochromatin at pericentric and telomere regions. This enzyme's activity is essential for DNA methylation and cell cycle regulation, impacting transcriptional repression and telomere length regulation.

Therapeutic significance:

Understanding the role of Histone-lysine N-methyltransferase SUV39H2 could open doors to potential therapeutic strategies.

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