Focused On-demand Library for N-lysine methyltransferase KMT5A

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


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.

PARTNER
Receptor.AI
 
UPACC
Q9NQR1

UPID:
KMT5A_HUMAN

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

BACKGROUND:
The protein N-lysine methyltransferase KMT5A, with alternative names such as Lysine-specific methylase 5A and SET domain-containing protein 8, is a key player in the maintenance of DNA structure during mitosis. It achieves this by monomethylating 'Lys-20' of histone H4, leading to epigenetic transcriptional repression. KMT5A's enzymatic activity extends to non-histone proteins, including a crucial role in modulating the function of p53/TP53 through monomethylation. This protein is indispensable for cell proliferation, ensuring proper DNA condensation and cytokinesis.

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

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