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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5U5R9
UPID:
HECD2_HUMAN
Alternative names:
HECT domain-containing protein 2; HECT-type E3 ubiquitin transferase HECTD2
Alternative UPACC:
Q5U5R9; Q5VZ97; Q5VZ98; Q5VZ99; Q8N1X7; Q8TCP5
Background:
Probable E3 ubiquitin-protein ligase HECTD2, also known as HECT domain-containing protein 2, plays a crucial role in protein ubiquitination, a process vital for cellular regulation and homeostasis. It functions by accepting ubiquitin from an E2 ubiquitin-conjugating enzyme and transferring it directly to targeted substrates. This protein is also involved in the ubiquitination of Botulinum neurotoxin A light chain, highlighting its role in microbial infection defense.
Therapeutic significance:
Understanding the role of Probable E3 ubiquitin-protein ligase HECTD2 could open doors to potential therapeutic strategies.