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:
partner
Reaxense
upacc
Q6B0I6
UPID:
KDM4D_HUMAN
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
Background:
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.