Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for protein-protein interfaces.
Fig. 1. The sreening workflow of Receptor.AI
The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UQQ2
UPID:
SH2B3_HUMAN
Alternative names:
Lymphocyte adapter protein; Lymphocyte-specific adapter protein Lnk; Signal transduction protein Lnk
Alternative UPACC:
Q9UQQ2; B9EGG5; O95184
Background:
SH2B adapter protein 3, also known as Lymphocyte adapter protein, plays a pivotal role in linking T-cell receptor activation signal to key signaling pathways, including phospholipase C-gamma-1, GRB2, and phosphatidylinositol 3-kinase. Its involvement in immune response modulation and signal transduction underscores its significance in cellular functions.
Therapeutic significance:
The protein's association with diseases such as Celiac disease 13 and Type 1 diabetes mellitus highlights its potential as a target for therapeutic intervention. Understanding the role of SH2B adapter protein 3 in these conditions could pave the way for novel treatments aimed at modulating immune responses and improving patient outcomes.