Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P33981
UPID:
TTK_HUMAN
Alternative names:
Phosphotyrosine picked threonine-protein kinase
Alternative UPACC:
P33981; A8K8U5; B2RDW2; E1P543; Q15272; Q5TCS0; Q9BW51; Q9NTM0
Background:
Dual specificity protein kinase TTK, also known as Phosphotyrosine picked threonine-protein kinase, plays a pivotal role in cell cycle regulation. It phosphorylates proteins on serine, threonine, and tyrosine, facilitating cell proliferation. TTK is crucial for mitotic checkpoint signaling through MAD1L1 phosphorylation and enhances AURKB activity for chromosome alignment by directly phosphorylating CDCA8 at the centromere.
Therapeutic significance:
Understanding the role of Dual specificity protein kinase TTK could open doors to potential therapeutic strategies.