Focused On-demand Libraries - Receptor.AI 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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
Receptor.AI
 
UPACC
P51797

UPID:
CLCN6_HUMAN

ALTERNATIVE NAMES:
Chloride channel protein 6; Chloride transport protein 6

ALTERNATIVE UPACC:
P51797; A8K1T4; B4DGT7; F8W9R3; O60818; O60819; O60820; O60821; P78520; P78521; Q17R81; Q5SNW2; Q5SNW3; Q5SNX1; Q5SNX2; Q5SNX3; Q99427; Q99428; Q99429

BACKGROUND:
The protein H(+)/Cl(-) exchange transporter 6, known alternatively as Chloride channel protein 6 and Chloride transport protein 6, is essential for the acidification of the late endosome lumen through its function as an antiporter in the CLC channel family. This family is distinguished by its members' ability to exchange chloride or another anion for protons, facilitated by conserved gating glutamate residues.

THERAPEUTIC SIGNIFICANCE:
Linked to a childhood-onset neurodegenerative disease with symptoms including hypotonia and impaired motor development, H(+)/Cl(-) exchange transporter 6's study could lead to novel therapeutic approaches for managing or potentially treating this disorder.

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