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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96LR5
UPID:
UB2E2_HUMAN
Alternative names:
E2 ubiquitin-conjugating enzyme E2; UbcH8; Ubiquitin carrier protein E2; Ubiquitin-protein ligase E2
Alternative UPACC:
Q96LR5
Background:
The Ubiquitin-conjugating enzyme E2 E2, known alternatively as E2 ubiquitin-conjugating enzyme E2, UbcH8, Ubiquitin carrier protein E2, and Ubiquitin-protein ligase E2, plays a pivotal role in protein ubiquitination. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins, facilitating 'Lys-11'-, 'Lys-48'-, and 'Lys-63'-linked polyubiquitination. This enzyme also catalyzes the ISGylation of influenza A virus NS1 protein, showcasing its versatility in post-translational modifications.
Therapeutic significance:
Understanding the role of Ubiquitin-conjugating enzyme E2 E2 could open doors to potential therapeutic strategies, particularly in targeting viral infections and regulating protein degradation pathways.