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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q13535
UPID:
ATR_HUMAN
Alternative names:
Ataxia telangiectasia and Rad3-related protein; FRAP-related protein 1
Alternative UPACC:
Q13535; Q59HB2; Q7KYL3; Q93051; Q9BXK4
Background:
Serine/threonine-protein kinase ATR, also known as Ataxia telangiectasia and Rad3-related protein, plays a pivotal role in the DNA damage response. It activates checkpoint signaling upon genotoxic stresses such as ionizing radiation, ultraviolet light, or DNA replication stalling. ATR phosphorylates key proteins involved in DNA repair, recombination, and apoptosis, including BRCA1 and p53, and is essential for maintaining genomic stability.
Therapeutic significance:
ATR's involvement in Seckel syndrome 1 and Cutaneous telangiectasia and cancer syndrome, familial, underscores its potential as a therapeutic target. Understanding the role of Serine/threonine-protein kinase ATR could open doors to potential therapeutic strategies for these and other DNA damage-related disorders.