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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BT23
UPID:
LIMD2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BT23; D3DU16; Q96S91
Background:
LIM domain-containing protein 2 plays a pivotal role in cellular processes by acting as an activator of the protein-kinase ILK, which is crucial for regulating cell motility. This protein's unique ability to influence cell movement makes it a key player in cellular dynamics and structure.
Therapeutic significance:
Understanding the role of LIM domain-containing protein 2 could open doors to potential therapeutic strategies. Its involvement in cell motility suggests it could be a target for interventions in diseases where cell movement is a factor.