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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q99963
UPID:
SH3G3_HUMAN
Alternative names:
EEN-B2; Endophilin-3; SH3 domain protein 2C; SH3 domain-containing GRB2-like protein 3
Alternative UPACC:
Q99963; O43553; O43554
Background:
Endophilin-A3, known by alternative names such as EEN-B2, Endophilin-3, SH3 domain protein 2C, and SH3 domain-containing GRB2-like protein 3, plays a crucial role in endocytosis. It is believed to recruit other proteins to membranes with high curvature, showcasing its importance in cellular processes.
Therapeutic significance:
Understanding the role of Endophilin-A3 could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes highlights its potential as a target for drug discovery efforts aimed at treating diseases where endocytosis is implicated.