Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q00532
UPID:
CDKL1_HUMAN
Alternative names:
Protein kinase p42 KKIALRE; Serine/threonine-protein kinase KKIALRE
Alternative UPACC:
Q00532; J3KMW1; Q2M3A4; Q6QUA0; Q8WXQ5
Background:
Cyclin-dependent kinase-like 1, known as Protein kinase p42 KKIALRE or Serine/threonine-protein kinase KKIALRE, plays a pivotal role in cell cycle regulation. This protein's unique structure and function distinguish it in the kinase family, contributing to its critical role in cellular processes.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase-like 1 could open doors to potential therapeutic strategies. Its involvement in key cellular mechanisms makes it a promising target for drug discovery, aiming to address complex diseases through novel interventions.