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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing 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.
Our library is unique due to several crucial aspects:
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.