AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Adapter molecule crk

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 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.

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.

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

Reaxense

upacc

P46108

UPID:

CRK_HUMAN

Alternative names:

Proto-oncogene c-Crk; p38

Alternative UPACC:

P46108; A8MWE8; B0LPE8; D3DTH6; Q96GA9; Q96HJ0

Background:

The Adapter molecule crk, also known as Proto-oncogene c-Crk and p38, plays a pivotal role in cellular processes such as branching, adhesion, and motility. It is central to the BCAR1-CRK-RAPGEF1 signaling pathway, leading to RAP1 activation. Furthermore, it regulates cell adhesion and migration through MAPK8 activation and interacts with DOCK1 and DOCK4 to mediate phagocytosis of apoptotic cells and cell motility.

Therapeutic significance:

Understanding the role of Adapter molecule crk could open doors to potential therapeutic strategies.

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