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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P07451
UPID:
CAH3_HUMAN
Alternative names:
Carbonate dehydratase III; Carbonic anhydrase III
Alternative UPACC:
P07451; B2R867; B3KUC8; O60842
Background:
Carbonic anhydrase 3, also known as Carbonate dehydratase III or Carbonic anhydrase III, plays a crucial role in the reversible hydration of carbon dioxide. This enzyme is pivotal in regulating acid-base balance in tissues and facilitating CO2 transport. Its unique enzymatic activity and expression pattern make it a subject of interest in the field of metabolic regulation and respiratory physiology.
Therapeutic significance:
Understanding the role of Carbonic anhydrase 3 could open doors to potential therapeutic strategies. Its fundamental role in CO2 hydration and acid-base homeostasis positions it as a potential target for disorders related to metabolic imbalance and respiratory function.