Focused On-demand Library for Serine/threonine-protein kinase LMTK3

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

Q96Q04

UPID:

LMTK3_HUMAN

Alternative names:

Lemur tyrosine kinase 3

Alternative UPACC:

Q96Q04; Q4G0U1

Background:

Serine/threonine-protein kinase LMTK3, also known as Lemur tyrosine kinase 3, plays a pivotal role in various cellular processes. It phosphorylates ESR1, enhancing its stability and transcriptional activity. LMTK3 is also involved in the endocytic trafficking of NMDAR in neurons, highlighting its significance in neural function.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase LMTK3 could open doors to potential therapeutic strategies. Its involvement in ESR1 regulation and neuronal receptor trafficking underscores its potential as a target in treating diseases related to estrogen receptor signaling and neural dysfunction.