Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O00299
UPID:
CLIC1_HUMAN
Alternative names:
Chloride channel ABP; Nuclear chloride ion channel 27; Regulatory nuclear chloride ion channel protein
Alternative UPACC:
O00299; Q15089; Q502X1
Background:
Chloride intracellular channel protein 1, known alternatively as Chloride channel ABP, Nuclear chloride ion channel 27, and Regulatory nuclear chloride ion channel protein, plays a pivotal role in cellular processes. It can insert into membranes to form chloride ion channels, with activity that is pH-dependent. Its membrane insertion is redox-regulated, occurring under oxidizing conditions, and it is involved in cell cycle regulation.
Therapeutic significance:
Understanding the role of Chloride intracellular channel protein 1 could open doors to potential therapeutic strategies.