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 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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96G61
UPID:
NUD11_HUMAN
Alternative names:
Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 3-beta; Diadenosine hexaphosphate hydrolase (AMP-forming); Nucleoside diphosphate-linked moiety X motif 11; hAps1
Alternative UPACC:
Q96G61; Q9NVN0
Background:
Diphosphoinositol polyphosphate phosphohydrolase 3-beta, also known by alternative names such as Diadenosine 5',5'''-P1,P6-hexaphosphate hydrolase 3-beta, plays a crucial role in signal transduction through its ability to cleave beta-phosphate from diphosphate groups in PP-InsP5. This enzyme also specializes in the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A as preferred substrates, leading to the production of ADP, p4a, and ATP.
Therapeutic significance:
Understanding the role of Diphosphoinositol polyphosphate phosphohydrolase 3-beta could open doors to potential therapeutic strategies.