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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 stands out due to several important features:
partner
Reaxense
upacc
P61019
UPID:
RAB2A_HUMAN
Alternative names:
-
Alternative UPACC:
P61019; B2R5W8; B4DMQ5; P08886
Background:
Ras-related protein Rab-2A plays a pivotal role in intracellular membrane trafficking, regulating the transport of vesicular carriers across organelles. This protein ensures the precise delivery of cargo from the endoplasmic reticulum to the Golgi complex, maintaining organelle identity and morphology through its active GTP-bound state.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-2A could open doors to potential therapeutic strategies, offering insights into the regulation of membrane traffic essential for cellular function and health.