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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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.


Our high-tech, dedicated method is applied to construct targeted 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q9NP94

UPID:
S39A2_HUMAN

ALTERNATIVE NAMES:
6A1; Eti-1; Solute carrier family 39 member 2; Zrt- and Irt-like protein 2

ALTERNATIVE UPACC:
Q9NP94; B2RC76; G3V5X2; Q4QQJ1; Q4V9S4; Q96JT6; Q9UD20

BACKGROUND:
The Zinc transporter ZIP2, identified by alternative names such as 6A1 and Eti-1, mediates the influx of Zn(2+) from the extracellular space into cells. This uniporter's function is crucial for maintaining cellular zinc levels, operating independently of proton gradients and modulated by external factors like pH and membrane potential. It also facilitates the transport of other divalent cations, including Cd2(+), Cu2(+), and Co2(+), highlighting its versatility in ion transport.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Zinc transporter ZIP2 unveils potential pathways for therapeutic interventions.

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