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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14573
UPID:
ITPR3_HUMAN
Alternative names:
IP3 receptor isoform 3; Type 3 inositol 1,4,5-trisphosphate receptor
Alternative UPACC:
Q14573; Q14649; Q5TAQ2
Background:
The Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) plays a pivotal role in intracellular calcium signaling, a crucial process for numerous cellular functions. This receptor, by mediating calcium release, is involved in cellular processes such as muscle contraction, cell growth, and apoptosis.
Therapeutic significance:
The receptor's link to Charcot-Marie-Tooth disease, demyelinating, 1J, underscores its therapeutic potential. Targeting this receptor could lead to innovative treatments for this debilitating peripheral nervous system disorder, characterized by muscle weakness and atrophy.