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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H4A3
UPID:
WNK1_HUMAN
Alternative names:
Erythrocyte 65 kDa protein; Kinase deficient protein; Protein kinase lysine-deficient 1; Protein kinase with no lysine 1
Alternative UPACC:
Q9H4A3; A1L4B0; C5HTZ5; C5HTZ6; C5HTZ7; H6WZW3; O15052; P54963; Q4VBX9; Q6IFS5; Q86WL5; Q8N673; Q96CZ6; Q9P1S9
Background:
Serine/threonine-protein kinase WNK1, also known as Protein kinase with no lysine 1, plays a pivotal role in regulating blood pressure and ion transport. It is a key component of the WNK1-SPAK/OSR1 kinase cascade, influencing ion influx and contributing to cellular responses to hyperosmotic stress. WNK1's ability to undergo liquid-liquid phase separation allows it to form a membraneless compartment, concentrating with its substrates for enhanced kinase activity.
Therapeutic significance:
WNK1's involvement in diseases such as Pseudohypoaldosteronism 2C and Neuropathy, hereditary sensory and autonomic, 2A, underscores its potential as a therapeutic target. Understanding the role of WNK1 could open doors to potential therapeutic strategies for these conditions.