Focused On-demand Library for Lysine-specific demethylase 4D

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

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 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.







Alternative names:

JmjC domain-containing histone demethylation protein 3D; Jumonji domain-containing protein 2D; [histone H3]-trimethyl-L-lysine(9) demethylase 4D

Alternative UPACC:

Q6B0I6; B3KPC4; Q0VF39; Q9NT41; Q9NW76


Lysine-specific demethylase 4D, also known as JmjC domain-containing histone demethylation protein 3D, plays a pivotal role in the histone code by specifically demethylating 'Lys-9' of histone H3. This action is crucial as it does not affect other lysine residues such as H3 'Lys-4', H3 'Lys-27', H3 'Lys-36', nor H4 'Lys-20'. It targets both di- and trimethylated H3 'Lys-9' residues, without activity on monomethylated residues, generating formaldehyde and succinate in the process.

Therapeutic significance:

Understanding the role of Lysine-specific demethylase 4D could open doors to potential therapeutic strategies.

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