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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q712K3
UPID:
UB2R2_HUMAN
Alternative names:
E2 ubiquitin-conjugating enzyme R2; Ubiquitin carrier protein R2; Ubiquitin-conjugating enzyme E2-CDC34B; Ubiquitin-protein ligase R2
Alternative UPACC:
Q712K3; D3DRL5; Q9NX64
Background:
Ubiquitin-conjugating enzyme E2 R2, also known as E2 ubiquitin-conjugating enzyme R2, plays a crucial role in protein ubiquitination, a process vital for protein degradation and signaling. This enzyme accepts ubiquitin from the E1 complex and catalyzes its attachment to target proteins, facilitating both monoubiquitination and 'Lys-48'-linked polyubiquitination.
Therapeutic significance:
Understanding the role of Ubiquitin-conjugating enzyme E2 R2 could open doors to potential therapeutic strategies.