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 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.
We utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O14976
UPID:
GAK_HUMAN
Alternative names:
-
Alternative UPACC:
O14976; Q5U4P5; Q9BVY6
Background:
Cyclin-G-associated kinase plays a pivotal role in cellular processes, associating with cyclin G and CDK5. It acts as an auxilin homolog, crucial for the uncoating of clathrin-coated vesicles by Hsc70 in non-neuronal cells. Its expression varies, peaking at G1 of the cell cycle.
Therapeutic significance:
Understanding the role of Cyclin-G-associated kinase could open doors to potential therapeutic strategies.