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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
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
Q6YN16
UPID:
HSDL2_HUMAN
Alternative names:
Short chain dehydrogenase/reductase family 13C member 1
Alternative UPACC:
Q6YN16; A8K1L4; A8K8X1; A8MSV3; Q658M8; Q9BT58
Background:
Hydroxysteroid dehydrogenase-like protein 2, also known as Short chain dehydrogenase/reductase family 13C member 1, is characterized by its apparent lack of steroid dehydrogenase activity. This unique feature distinguishes it within the enzyme family, suggesting a specialized yet to be understood role in cellular processes.
Therapeutic significance:
Understanding the role of Hydroxysteroid dehydrogenase-like protein 2 could open doors to potential therapeutic strategies. Its unique enzymatic profile hints at untapped avenues for drug discovery, emphasizing the importance of further research in elucidating its function.