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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00311
UPID:
CDC7_HUMAN
Alternative names:
-
Alternative UPACC:
O00311; D3DT31; O00558; Q5T5U5
Background:
Cell division cycle 7-related protein kinase plays a pivotal role in the initiation of DNA replication. It achieves this by phosphorylating key substrates, including MCM proteins and CLASPIN, which are crucial for the G1/S phase transition and the commencement of DNA replication.
Therapeutic significance:
Understanding the role of Cell division cycle 7-related protein kinase could open doors to potential therapeutic strategies.