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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q96RR4
UPID:
KKCC2_HUMAN
Alternative names:
Calcium/calmodulin-dependent protein kinase kinase beta
Alternative UPACC:
Q96RR4; A8K7Q7; O94883; Q8IUG2; Q8IUG3; Q8N3I4; Q8WY03; Q8WY04; Q8WY05; Q8WY06; Q96RP1; Q96RP2; Q96RR3; Q9BWE9; Q9UER3; Q9UES2; Q9Y5N2
Background:
Calcium/calmodulin-dependent protein kinase kinase 2 (CAMKK2) plays a pivotal role in cellular processes through a calcium-triggered signaling cascade. It phosphorylates various targets including CAMK1, CAMK4, and AMPK, responding to calcium signals. This kinase is involved in hippocampal activation of CREB1 and influences neurite growth, with different isoforms promoting branching or elongation.
Therapeutic significance:
Understanding the role of Calcium/calmodulin-dependent protein kinase kinase 2 could open doors to potential therapeutic strategies.