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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused 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
P06493
UPID:
CDK1_HUMAN
Alternative names:
Cell division control protein 2 homolog; Cell division protein kinase 1; p34 protein kinase
Alternative UPACC:
P06493; A8K7C4; C9J497; O60764
Background:
Cyclin-dependent kinase 1 (CDK1), also known as Cell division control protein 2 homolog, plays a pivotal role in cell cycle regulation. It is essential for the G2-M transition, modulates the centrosome cycle, and influences G1 progress and G1-S transition. CDK1's activity is marked by its association with various cyclins and its ability to phosphorylate a wide array of substrates, indicating its central role in cellular division and maintenance.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 1 could open doors to potential therapeutic strategies.