Abstract
Ion channels represent a crucial class of drug targets. Currently, with the structural elucidation of more and more ion channels and the rapid development of artificial intelligence in drug discovery, unprecedented opportunities have emerged for designing and discovering drugs that target ion channels. However, both traditional computer-aided drug design and artificial intelligence drug design rely heavily on a large amount of effective data, particularly high-quality data. Yet, data pertaining to relevant ion channels and their ligands are notably scarce. Therefore, constructing a comprehensive and reliable database encompassing ion channels and their ligands is paramount for drug discovery efforts centered around ion channels. To address this gap, we developed database (DICL, Database of Ion Channels and Ligands) including 464,225 data records with the manually curated structure and activity information of ligands from over 6,000 peer-reviewed publications, patents and other databases. As far as we know, it represents the largest and most detailed online database dedicated to ion channels and their ligands. Additionally, the database integrates information regarding the binding sites of ligands, channelopathies, and specific experimental conditions related to biological activities for the first time. Furthermore, it features a user-friendly interface that facilitates querying, browsing, and utilization of this resource. DICL is freely available and can be accessed at https://fca_icdb.mpu.edu.mo/ICHDB/public/.