Focused On-demand Library for Lysine-specific demethylase 3A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

JmjC domain-containing histone demethylation protein 2A; Jumonji domain-containing protein 1A; [histone H3]-dimethyl-L-lysine(9) demethylase 3A

Alternative UPACC:

Q9Y4C1; D6W5M3; Q53S72; Q68D47; Q68UT9; Q6N050; Q8IY08


Lysine-specific demethylase 3A, known by its aliases JmjC domain-containing histone demethylation protein 2A and Jumonji domain-containing protein 1A, plays a pivotal role in the histone code by specifically demethylating 'Lys-9' of histone H3. This action is crucial for the regulation of gene expression, impacting processes from hormone-dependent transcriptional activation to spermatogenesis and metabolic gene regulation.

Therapeutic significance:

Understanding the role of Lysine-specific demethylase 3A could open doors to potential therapeutic strategies, particularly in the realms of reproductive health and metabolic disorders.

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