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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P52333
UPID:
JAK3_HUMAN
Alternative names:
Janus kinase 3; Leukocyte janus kinase
Alternative UPACC:
P52333; Q13259; Q13260; Q13611; Q8N1E8; Q99699; Q9Y6S2
Background:
Tyrosine-protein kinase JAK3, also known as Janus kinase 3 and Leukocyte janus kinase, plays a pivotal role in cell growth, development, differentiation, and the immune response. It is crucial in hematopoiesis and T-cells development, mediating signaling in both innate and adaptive immunity.
Therapeutic significance:
JAK3's involvement in severe combined immunodeficiency autosomal recessive T-cell-negative/B-cell-positive/NK-cell-negative highlights its potential as a target for therapeutic intervention. Understanding JAK3's role could lead to novel treatments for this and related immune disorders.