Overview

R-SIM contains binding affinity data of 2,501 experimentally verified RNA-small molecule complexes. The data has been collected from two of the existing databases (SMMRNA and RBIND) and published literature. Along with binding affinity, each entry also includes the experimental conditions involved, RNA sequence and classification, SMILES, 2D structure, various key physicochemical properties of each small molecule, and the experimental or modeled structure of the RNA-small molecule complex. Options to build different search queries, display, visualize, download and upload the data are also available to users. R-SIM is cross-linked with other relevant databases such as PDB, PubMed, etc.

Users can search for a specific RNA target, PDB ID of RNA-small molecule complex, experimental conditions, ranges of binding affinity values (Ka, Ki, Kd, IC50 or EC50) and salient features of the RNA target like type of RNA, secondary structure of binding region etc. Besides these options, users can also build RNA-specific virtual screening datasets of small molecules by filtering based on the physicochemical properties of molecules. Users can check our tutorial page for help on searching the database. If you would like to access the entire dataset, please fill our download request form. Thank you for visiting R-SIM!