Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our top-notch dedicated system is used to design specialised 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O15550
UPID:
KDM6A_HUMAN
Alternative names:
Histone demethylase UTX; Ubiquitously-transcribed TPR protein on the X chromosome; Ubiquitously-transcribed X chromosome tetratricopeptide repeat protein; [histone H3]-trimethyl-L-lysine(27) demethylase 6A
Alternative UPACC:
O15550; Q52LL9; Q5JVQ7
Background:
Lysine-specific demethylase 6A (KDM6A), also known as Histone demethylase UTX, plays a pivotal role in epigenetic regulation by specifically demethylating 'Lys-27' of histone H3. This action is crucial for the modulation of the histone code, affecting gene expression patterns involved in posterior development and HOX gene expression. KDM6A's activity is essential for the dynamic regulation of chromatin structure, facilitating the recruitment of the PRC1 complex and influencing histone modifications.
Therapeutic significance:
KDM6A is implicated in Kabuki syndrome 2, a congenital disorder characterized by intellectual disability and distinct physical features. Understanding the role of KDM6A in this syndrome could pave the way for targeted therapeutic strategies, offering hope for patients affected by this condition.