Focused On-demand Library for N-lysine methyltransferase KMT5A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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:

H4-K20-HMTase KMT5A; Histone-lysine N-methyltransferase KMT5A; Lysine N-methyltransferase 5A; Lysine-specific methylase 5A; PR/SET domain-containing protein 07; SET domain-containing protein 8

Alternative UPACC:

Q9NQR1; A8K9D0; Q86W83; Q8TD09


N-lysine methyltransferase KMT5A, also known as H4-K20-HMTase KMT5A, plays a pivotal role in epigenetic transcriptional repression by specifically monomethylating 'Lys-20' of histone H4 (H4K20me1). This modification is crucial during mitosis, signifying a specific tag for silencing euchromatic genes. KMT5A's activity is not limited to histones; it also monomethylates non-histone proteins, including p53/TP53, thereby repressing p53/TP53-target genes. Its function is essential for cell proliferation, chromosome condensation, and proper cytokinesis.

Therapeutic significance:

Understanding the role of N-lysine methyltransferase KMT5A could open doors to potential therapeutic strategies.

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