Focused On-demand Library for Ubiquitin-conjugating enzyme E2 L3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P68036

UPID:

UB2L3_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme L3; L-UBC; UbcH7; Ubiquitin carrier protein L3; Ubiquitin-conjugating enzyme E2-F1; Ubiquitin-protein ligase L3

Alternative UPACC:

P68036; B2R4A7; B4DDG1; B4DSZ4; E7EWS7; P51966; P70653; Q9HAV1

Background:

Ubiquitin-conjugating enzyme E2 L3, known as UbcH7, plays a pivotal role in protein ubiquitination, partnering with HECT-type and RBR family E3 ligases. Unlike most E2 enzymes, UbcH7 is selective, working with RBR E3s like PRKN and ARIH1. It facilitates 'Lys-11'-linked polyubiquitination, crucial for protein degradation and cell cycle progression. Additionally, UbcH7 modulates nuclear hormone receptors and may influence myelopoiesis.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 L3 could open doors to potential therapeutic strategies.