Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O60239
UPID:
3BP5_HUMAN
Alternative names:
SH3 domain-binding protein that preferentially associates with BTK
Alternative UPACC:
O60239; B3KQW6; Q5JWV9
Background:
SH3 domain-binding protein 5, alternatively known as a protein that preferentially associates with BTK, functions as a guanine nucleotide exchange factor (GEF) with specificity for RAB11A and RAB25. It plays a crucial role in inhibiting the auto- and transphosphorylation activity of BTK, thereby acting as a negative regulator in BTK-related cytoplasmic signaling in B-cells. This protein may also be involved in BCR-induced apoptotic cell death.
Therapeutic significance:
Understanding the role of SH3 domain-binding protein 5 could open doors to potential therapeutic strategies. Its involvement in key cellular processes and signaling pathways highlights its potential as a target for drug discovery, especially in diseases related to B-cell dysfunction.