Focused On-demand Library for Histone-lysine N-methyltransferase EZH2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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:

ENX-1; Enhancer of zeste homolog 2; Lysine N-methyltransferase 6

Alternative UPACC:

Q15910; B2RAQ1; B3KS30; B7Z1D6; B7Z7L6; Q15755; Q75MG3; Q92857; Q96FI6


Histone-lysine N-methyltransferase EZH2, also known as ENX-1 and Enhancer of zeste homolog 2, plays a pivotal role in gene expression regulation through histone methylation. As a key component of the PRC2/EED-EZH2 complex, it specifically methylates 'Lys-27' of histone H3, influencing transcriptional repression. Its activity varies with the methylation state of H3K27, showing a preference for substrates with less methylation. EZH2's function is crucial in maintaining embryonic stem cell identity and differentiation, highlighting its importance in cellular development and epigenetic regulation.

Therapeutic significance:

EZH2's involvement in Weaver syndrome, characterized by accelerated growth and distinctive craniofacial features, underscores its clinical relevance. The disease's association with EZH2 gene variants opens avenues for targeted therapeutic strategies, emphasizing the protein's potential as a biomarker and therapeutic target in genetic disorders.

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