Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q14004
UPID:
CDK13_HUMAN
Alternative names:
CDC2-related protein kinase 5; Cell division cycle 2-like protein kinase 5; Cell division protein kinase 13; Cholinesterase-related cell division controller
Alternative UPACC:
Q14004; Q53G78; Q6DKQ9; Q75MH4; Q75MH5; Q96JN4; Q9H4A0; Q9H4A1; Q9UDR4
Background:
Cyclin-dependent kinase 13 (CDK13) is pivotal in cell cycle regulation, showcasing CTD kinase activity essential for RNA splicing. It hyperphosphorylates the CTD of RNA polymerase II subunit RPB1, facilitating transcription elongation. CDK13's role extends to hematopoiesis and, during HIV-1 infection, it interacts with the Tat protein to enhance HIV-1 mRNA splicing.
Therapeutic significance:
CDK13 is linked to a syndrome featuring congenital heart defects, facial dysmorphism, and intellectual developmental disorders. Understanding CDK13's role could unveil new therapeutic strategies for these conditions.