Focused On-demand Library for NACHT, LRR and PYD domains-containing protein 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P59045

UPID:

NAL11_HUMAN

Alternative names:

Nucleotide-binding oligomerization domain protein 17; PAAD-and NACHT domain-containing protein 10; PYRIN-containing APAF1-like protein 6

Alternative UPACC:

P59045; C9JSF5; Q2TV85; Q2TV86; Q53ZZ0; Q8NBF5

Background:

NACHT, LRR, and PYD domains-containing protein 11, also known as Nucleotide-binding oligomerization domain protein 17, PAAD-and NACHT domain-containing protein 10, and PYRIN-containing APAF1-like protein 6, plays a crucial role in inflammation processes. Its unique structure, characterized by the presence of NACHT, LRR, and PYD domains, positions it as a key player in the innate immune response.

Therapeutic significance:

Understanding the role of NACHT, LRR, and PYD domains-containing protein 11 could open doors to potential therapeutic strategies. Its involvement in inflammation suggests it could be a target for developing treatments for inflammatory diseases.