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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q93070
UPID:
NAR4_HUMAN
Alternative names:
ADP-ribosyltransferase C2 and C3 toxin-like 4; Dombrock blood group carrier molecule; Mono(ADP-ribosyl)transferase 4; NAD(P)(+)--arginine ADP-ribosyltransferase 4
Alternative UPACC:
Q93070; Q9BZ50; Q9BZ51; Q9HB06
Background:
Ecto-ADP-ribosyltransferase 4, known by alternative names such as ADP-ribosyltransferase C2 and C3 toxin-like 4, Dombrock blood group carrier molecule, Mono(ADP-ribosyl)transferase 4, and NAD(P)(+)--arginine ADP-ribosyltransferase 4, plays a crucial role in cellular processes through its enzymatic activity. This protein, identified by the UniProt accession number Q93070, is involved in the post-translational modification of proteins, a fundamental mechanism for regulating protein function and signaling pathways.
Therapeutic significance:
Understanding the role of Ecto-ADP-ribosyltransferase 4 could open doors to potential therapeutic strategies. Its involvement in key cellular processes highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.