Focused On-demand Libraries - Receptor.AI Collaboration


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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q29983

UPID:
MICA_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q29983; A8KQR0; A9LRW5; A9QVE0; B1VJF1; O60917; O60918; O60919; O60920; O60933; O77956; O78150; O78151; O78152; O78153; O97987; O97988; O97989; O97990; O97991; O97992; O97993; O97994; O97995; O98234; O98235; O98236; O98237; O98238; P79506; P79507; P79508; P79509; P79510; P79511; P79512; P79513; P79514; P79515; P79516; P79517; P79518; P79519; P79520; P79521; Q5C9P8; Q5XM81; Q70I48; Q70I49; Q7JFH9; Q7JFI0; Q7JFI1; Q7JFI2; Q7YQ98; Q861I1; Q95464; Q95HA2; Q95HD6; Q95HN4; Q95HN5; Q95HN6; Q95IB2; Q95IY7; Q99692; Q9BCR3; Q9BCR4; Q9BCR5; Q9BCR6; Q9BCR7; Q9BCR8; Q9BCR9; Q9BCS0; Q9BCS1; Q9BCS2; Q9BCS3; Q9BCS4; Q9BD20; Q9GIZ1; Q9GIZ2; Q9GIZ3; Q9GIZ4; Q9GIZ5; Q9GIZ6; Q9GJ01; Q9GJ02; Q9GJ03; Q9GJ04; Q9GJ05; Q9GJ06; Q9GJ07; Q9GJ08; Q9GJ09; Q9MY21; Q9TQ86; Q9TQ87; Q9TQ88; Q9TQ89; Q9TQ92; Q9TQ93; Q9TQ94; Q9TQ95; Q9TQ96; Q9TQ97; Q9TQ98; Q9TQ99; Q9TQA0; Q9TQA1; Q9TQA2; Q9TQA3; Q9TQA4; Q9TQI9; Q9TQJ0; Q9TQJ1; Q9TQJ9; Q9TQK0; Q9TQK1; Q9TQK2; Q9TQK8; Q9TQK9; Q9TQL0; Q9TQL1; Q9TQL2; Q9TQL3; Q9TQL4; Q9UE04; Q9UE05; Q9UE06; Q9UE11

BACKGROUND:
The protein MHC class I polypeptide-related sequence A, identified by the unique identifier Q29983, is crucial in the immune system. It does not participate in antigen presentation but is recognized by gamma delta T-cells when stressed, and binds to the KLRK1/NKG2D receptor to initiate cell lysis.

THERAPEUTIC SIGNIFICANCE:
Linked to the development of Psoriasis 1 and Psoriatic arthritis, this protein's interaction with the immune system suggests potential therapeutic targets. Exploring its functions could lead to breakthroughs in treating these chronic inflammatory conditions.

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