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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NBF2
UPID:
NHLC2_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NBF2; Q8N1H1; Q8N5A6
Background:
NHL repeat-containing protein 2 is pivotal for normal embryonic development, highlighting its fundamental role in early human growth and organ formation. This protein's intricate involvement in cellular processes underscores its importance in maintaining healthy physiological functions.
Therapeutic significance:
The protein is linked to a severe autosomal recessive disorder characterized by fibrosis, neurodegeneration, and cerebral angiomatosis, leading to early mortality. Understanding the role of NHL repeat-containing protein 2 could open doors to potential therapeutic strategies, offering hope for targeted interventions in this fatal condition.