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.
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
Q16667
UPID:
CDKN3_HUMAN
Alternative names:
CDK2-associated dual-specificity phosphatase; Cyclin-dependent kinase interactor 1; Cyclin-dependent kinase-interacting protein 2; Kinase-associated phosphatase
Alternative UPACC:
Q16667; Q53ZU6; Q5U0M4; Q6P1N8; Q99585; Q9BPW7; Q9BY36; Q9C042; Q9C046; Q9C047; Q9C049; Q9C051; Q9C053
Background:
Cyclin-dependent kinase inhibitor 3 (CDK2-associated dual-specificity phosphatase) plays a crucial role in cell cycle regulation. It exhibits dual specificity phosphatase activity, targeting substrates with phosphotyrosine or phosphoserine residues. Notably, it dephosphorylates CDK2, influencing cyclin-dependent processes.
Therapeutic significance:
Given its involvement in hepatocellular carcinoma pathogenesis, understanding the role of Cyclin-dependent kinase inhibitor 3 could lead to novel therapeutic strategies targeting this primary liver cancer, especially considering the disease's association with chronic viral infections and cirrhosis.