Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H3R0
UPID:
KDM4C_HUMAN
Alternative names:
Gene amplified in squamous cell carcinoma 1 protein; JmjC domain-containing histone demethylation protein 3C; Jumonji domain-containing protein 2C; [histone H3]-trimethyl-L-lysine(9) demethylase 4C
Alternative UPACC:
Q9H3R0; B4E1Y4; B7ZL46; F5H347; F5H7P0; O94877; Q2M3M0; Q5JUC9; Q5VYJ2; Q5VYJ3
Background:
Lysine-specific demethylase 4C, known by alternative names such as Gene amplified in squamous cell carcinoma 1 protein and Jumonji domain-containing protein 2C, plays a pivotal role in the histone code. It specifically demethylates 'Lys-9' and 'Lys-36' residues of histone H3, crucial for gene expression regulation, without affecting other lysine residues. This selective activity highlights its unique position in epigenetic mechanisms.
Therapeutic significance:
Understanding the role of Lysine-specific demethylase 4C could open doors to potential therapeutic strategies. Its specific function in demethylating histone H3 positions it as a key player in epigenetic regulation, offering insights into novel approaches for disease intervention.