Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BRK5
UPID:
CAB45_HUMAN
Alternative names:
Stromal cell-derived factor 4
Alternative UPACC:
Q9BRK5; B1AME5; B1AME6; B2RDF1; B4DSM1; Q53G52; Q53HQ9; Q8NBQ3; Q96AA1; Q9NZP7; Q9UN53
Background:
The 45 kDa calcium-binding protein, also known as Stromal cell-derived factor 4, plays a crucial role in cellular processes. It is involved in regulating calcium-dependent activities within the endoplasmic reticulum lumen and post-ER compartment. Additionally, its isoform 5 is implicated in the exocytosis of zymogens by pancreatic acini, highlighting its importance in digestive enzyme secretion.
Therapeutic significance:
Understanding the role of the 45 kDa calcium-binding protein could open doors to potential therapeutic strategies. Its involvement in calcium regulation and exocytosis processes makes it a promising target for developing treatments aimed at disorders related to calcium homeostasis and pancreatic function.