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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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
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:
partner
Reaxense
upacc
Q96G74
UPID:
OTUD5_HUMAN
Alternative names:
Deubiquitinating enzyme A
Alternative UPACC:
Q96G74; B4DGG7; G5E9D7; Q4KMN9; Q8N6T5; Q9H650; Q9H9U0; Q9NT65
Background:
OTU domain-containing protein 5, also known as Deubiquitinating enzyme A, plays a pivotal role in the innate immune system by regulating type I interferon production through TRAF3 deubiquitination. Its enzymatic activity extends to cleaving 'Lys-48'-, 'Lys-63'-, and 'Lys-11'-linked polyubiquitin chains, crucial for neuroectodermal differentiation and the stability of key chromatin regulators.
Therapeutic significance:
Linked to Multiple congenital anomalies-neurodevelopmental syndrome, X-linked, understanding OTU domain-containing protein 5's function could unveil novel therapeutic avenues.