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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P50613
UPID:
CDK7_HUMAN
Alternative names:
39 kDa protein kinase; CDK-activating kinase 1; Cell division protein kinase 7; Serine/threonine-protein kinase 1; TFIIH basal transcription factor complex kinase subunit
Alternative UPACC:
P50613; Q9BS60; Q9UE19
Background:
Cyclin-dependent kinase 7 (CDK7) plays a pivotal role in cell cycle control and RNA polymerase II-mediated RNA transcription. As a serine/threonine kinase, CDK7 is essential for the activation of CDKs by binding to cyclins, facilitating cell cycle progression. It functions as the catalytic subunit of the CDK-activating kinase (CAK) complex, phosphorylating various substrates including POLR2A and p53/TP53, thereby regulating transcription and cell cycle arrest or apoptosis in response to DNA damage.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 7 could open doors to potential therapeutic strategies.