Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
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.