Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96BI1
UPID:
S22AI_HUMAN
Alternative names:
Beckwith-Wiedemann syndrome chromosomal region 1 candidate gene A protein; Efflux transporter-like protein; Imprinted multi-membrane-spanning polyspecific transporter-related protein 1; Organic cation transporter-like protein 2; Solute carrier family 22 member 1-like; Tumor-suppressing STF cDNA 5 protein; Tumor-suppressing subchromosomal transferable fragment candidate gene 5 protein; p45-Beckwith-Wiedemann region 1 A
Alternative UPACC:
Q96BI1; O14906; O43562; O60485; O60680; Q7LDS5; Q7LGF7
Background:
Solute carrier family 22 member 18, also known as Efflux transporter-like protein and Organic cation transporter-like protein 2, plays a crucial role in the transport of organic cations through a proton efflux antiport mechanism. It is implicated in the transport of vital compounds like chloroquine and quinidine-related compounds in the kidney, showcasing its significance in cellular transport processes.
Therapeutic significance:
Given its involvement in lung cancer and embryonal rhabdomyosarcoma, understanding the role of Solute carrier family 22 member 18 could pave the way for novel therapeutic strategies. Its potential in modulating drug transport and resistance mechanisms in these malignancies highlights its therapeutic significance.