AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Condensin-2 complex subunit G2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q86XI2

UPID:

CNDG2_HUMAN

Alternative names:

Chromosome-associated protein G2; Leucine zipper protein 5; Non-SMC condensin II complex subunit G2

Alternative UPACC:

Q86XI2; A4D228; Q7Z3J9; Q8WUG8; Q9BRX6; Q9H8S2; Q9H9K6

Background:

Condensin-2 complex subunit G2, also known as Chromosome-associated protein G2, Leucine zipper protein 5, and Non-SMC condensin II complex subunit G2, plays a pivotal role in mitotic chromosome architecture. It acts as a regulatory subunit of the condensin-2 complex, crucial for establishing the physical rigidity of the chromatid axis during cell division.

Therapeutic significance:

Linked to Khan-Khan-Katsanis syndrome, a neurodevelopmental disorder with wide-ranging congenital anomalies, the study of Condensin-2 complex subunit G2 offers a promising avenue for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies targeting the underlying genetic variants.

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