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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q14644
UPID:
RASA3_HUMAN
Alternative names:
GAP1(IP4BP); Ins P4-binding protein
Alternative UPACC:
Q14644; A6NL15; F8W6X8; Q8IUY2
Background:
Ras GTPase-activating protein 3, also known as GAP1(IP4BP) or Ins P4-binding protein, plays a crucial role as an inhibitory regulator of the Ras-cyclic AMP pathway. It uniquely binds inositol tetrakisphosphate (IP4) with high affinity, suggesting its potential as a specific IP4 receptor.
Therapeutic significance:
Understanding the role of Ras GTPase-activating protein 3 could open doors to potential therapeutic strategies. Its involvement in the Ras-cyclic AMP pathway highlights its importance in cellular signaling and regulation, offering a promising target for drug discovery.