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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
Q9H867
UPID:
MT21D_HUMAN
Alternative names:
Methyltransferase-like protein 21D; VCP lysine methyltransferase; Valosin-containing protein lysine methyltransferase
Alternative UPACC:
Q9H867; B7ZLA3; B7ZLA4; Q2M2X3; Q86T12
Background:
Protein N-lysine methyltransferase METTL21D, also known as Methyltransferase-like protein 21D, VCP lysine methyltransferase, and Valosin-containing protein lysine methyltransferase, plays a crucial role in post-translational modifications. It specifically trimethylates 'Lys-315' of VCP/p97, a modification that may modulate VCP ATPase activity.
Therapeutic significance:
Understanding the role of Protein N-lysine methyltransferase METTL21D could open doors to potential therapeutic strategies.