Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96NX5
UPID:
KCC1G_HUMAN
Alternative names:
CaM kinase I gamma; CaMK-like CREB kinase III
Alternative UPACC:
Q96NX5; Q86UH5; Q9Y3J7
Background:
Calcium/calmodulin-dependent protein kinase type 1G, also known as CaM kinase I gamma and CaMK-like CREB kinase III, plays a pivotal role in a proposed calcium-triggered signaling cascade. This kinase, identified by the accession number Q96NX5, is known to phosphorylate transcription factor CREB1 in vitro, suggesting its involvement in the regulation of gene expression.
Therapeutic significance:
Understanding the role of Calcium/calmodulin-dependent protein kinase type 1G could open doors to potential therapeutic strategies. Its involvement in phosphorylating CREB1 highlights its significance in cellular signaling pathways, which could be targeted in various therapeutic contexts.