Focused On-demand Library for Ubiquitin-associated and SH3 domain-containing protein B

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8TF42

UPID:

UBS3B_HUMAN

Alternative names:

Cbl-interacting protein p70; Suppressor of T-cell receptor signaling 1; T-cell ubiquitin ligand 2; Tyrosine-protein phosphatase STS1/TULA2

Alternative UPACC:

Q8TF42; Q53GT5; Q53GT8; Q8NBV7; Q96IG9; Q96NZ2

Background:

Ubiquitin-associated and SH3 domain-containing protein B, also known as Cbl-interacting protein p70, plays a crucial role in cellular signaling. It interferes with CBL-mediated down-regulation and degradation of receptor-type tyrosine kinases, leading to the accumulation of activated receptors like EGFR on the cell surface. Its activity extends to tyrosine phosphatase towards substrates such as EGFR, FAK, SYK, and ZAP70, and it down-regulates proteins modified by tyrosine phosphorylation and ubiquitination.

Therapeutic significance:

Understanding the role of Ubiquitin-associated and SH3 domain-containing protein B could open doors to potential therapeutic strategies.