AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Rab5 GDP/GTP exchange factor

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.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening 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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UJ41

UPID:

RABX5_HUMAN

Alternative names:

RAP1; Rabaptin-5-associated exchange factor for Rab5; Rabex-5

Alternative UPACC:

Q9UJ41; B4DZM7; Q3HKR2; Q3HKR3; Q53FG0

Background:

The Rab5 GDP/GTP exchange factor, also known as RAP1, Rabaptin-5-associated exchange factor for Rab5, and Rabex-5, plays a pivotal role in cellular processes. It functions as a Rab effector protein, facilitating the linkage between gamma-adaptin, RAB4A, or RAB5A. This protein is crucial in endocytic membrane fusion and the membrane trafficking of recycling endosomes, enhancing nucleotide exchange on RAB5A. Additionally, it possesses the capability to act as a ubiquitin ligase, further underscoring its versatility in cellular functions.

Therapeutic significance:

Understanding the role of Rab5 GDP/GTP exchange factor could open doors to potential therapeutic strategies.

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