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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P50750
UPID:
CDK9_HUMAN
Alternative names:
C-2K; Cell division cycle 2-like protein kinase 4; Cell division protein kinase 9; Serine/threonine-protein kinase PITALRE; Tat-associated kinase complex catalytic subunit
Alternative UPACC:
P50750; Q5JU24; Q5JU25; Q5U006; Q96TF1
Background:
Cyclin-dependent kinase 9 (CDK9), known by alternative names such as Cell division cycle 2-like protein kinase 4 and Serine/threonine-protein kinase PITALRE, plays a pivotal role in transcription regulation. As a core component of the positive transcription elongation factor b (P-TEFb) complex, CDK9 is essential for the transition from abortive to productive elongation by phosphorylating key substrates like the CTD of RNA polymerase II. This kinase is integral to various cellular processes including cell growth, differentiation, and response to replication stress, ensuring genome integrity.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 9 could open doors to potential therapeutic strategies.