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 employ our advanced, specialised process to create targeted 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
Q9UKE5
UPID:
TNIK_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UKE5; A7E2A3; A8K4U1; D3DNQ6; O60298; Q8WUY7; Q9UKD8; Q9UKD9; Q9UKE0; Q9UKE1; Q9UKE2; Q9UKE3; Q9UKE4
Background:
TRAF2 and NCK-interacting protein kinase plays a pivotal role in the Wnt signaling pathway, essential for cell development and differentiation. It activates Wnt target genes, influences cytoskeletal rearrangements, and regulates cell spreading. Its involvement in neuronal dendrite extension underscores its importance in neural development.
Therapeutic significance:
Linked to Intellectual developmental disorder, autosomal recessive 54, this kinase's understanding could pave the way for innovative treatments targeting genetic disorders affecting intellectual and neurological development.