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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q99439
UPID:
CNN2_HUMAN
Alternative names:
Calponin H2, smooth muscle; Neutral calponin
Alternative UPACC:
Q99439; A5D8U8; A6NFI4; D6W5X9; Q92578
Background:
Calponin-2, also known as Calponin H2, smooth muscle or Neutral calponin, plays a crucial role in smooth muscle contraction. It binds to actin, calmodulin, and tropomyosin, modulating contraction by inhibiting the actomyosin Mg-ATPase activity.
Therapeutic significance:
Understanding the role of Calponin-2 could open doors to potential therapeutic strategies.