Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P62256
UPID:
UBE2H_HUMAN
Alternative names:
(E3-independent) E2 ubiquitin-conjugating enzyme H; E2 ubiquitin-conjugating enzyme H; UbcH2; Ubiquitin carrier protein H; Ubiquitin-conjugating enzyme E2-20K; Ubiquitin-protein ligase H
Alternative UPACC:
P62256; A4D1L6; C9JY93; P37286; Q7Z6F4
Background:
Ubiquitin-conjugating enzyme E2 H (UbcH2) plays a pivotal role in protein ubiquitination, a critical process of tagging proteins for degradation or functional modification. UbcH2 is known for its ability to accept ubiquitin from the E1 complex and catalyze its covalent attachment to other proteins. This enzyme is instrumental in 'Lys-11'- and 'Lys-48'-linked polyubiquitination and has shown capability to ubiquitinate histone H2A, highlighting its versatility in cellular processes.
Therapeutic significance:
Understanding the role of Ubiquitin-conjugating enzyme E2 H could open doors to potential therapeutic strategies.