AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Solute carrier family 22 member 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 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 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

O75751

UPID:

S22A3_HUMAN

Alternative names:

Extraneuronal monoamine transporter; Organic cation transporter 3

Alternative UPACC:

O75751; Q5SYN6; Q9UP02

Background:

Solute carrier family 22 member 3, also known as the Extraneuronal monoamine transporter or Organic cation transporter 3, is a pivotal protein in mediating the transport of various organic cations. It facilitates the transport of endogenous bioactive amines, cationic drugs, and xenobiotics, independent of Na(+) and Cl(-). Its role extends to the uptake of monoamine neurotransmitters like dopamine and serotonin, crucial for aminergic neurotransmission in the brain. Additionally, it participates in the renal clearance of cationic compounds and regulates their transport in the testis.

Therapeutic significance:

Understanding the role of Solute carrier family 22 member 3 could open doors to potential therapeutic strategies.

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