AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Calcium permeable stress-gated cation channel 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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 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

Q9P1W3

UPID:

CSC1_HUMAN

Alternative names:

Transmembrane protein 63C

Alternative UPACC:

Q9P1W3; B2RN22; B3KWJ5; Q86TS3; Q86TS4; Q9NSQ4; Q9P1W1

Background:

Calcium permeable stress-gated cation channel 1, also known as Transmembrane protein 63C, plays a crucial role in cellular processes by acting as an osmosensitive calcium-permeable cation channel. Its involvement in maintaining the functional integrity of the kidney glomerular filtration barrier underscores its importance in physiological homeostasis.

Therapeutic significance:

The protein is implicated in Spastic paraplegia 87, an autosomal recessive neurodegenerative disorder. This association highlights its potential as a target for therapeutic intervention, aiming to alleviate the progressive weakness and spasticity characteristic of the disease.

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