Advanced Search
Search and filter R-BIND based on cheminformatic and shape-based descriptors, substructure, and text-based properties. See details and search options in question marks for each entry.
1) Choose Library
2) Binding Mode
3) Medicinal Chemistry
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
4) Structural
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
5) Molecular Complexity & Recognition
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
Max, min, mean, median.
6) Principal Moments of Inertia
7) Secondary Structure-Based Search
Select secondary structure motifs to filter for molecules that bind only the selected structures. By default all are selected.
8) Text-Based Search
Enter keywords or phrases such as target or model. Use quotations to search for exact matches. Click here to see a comprehensive list of targets, assays and biological activity in R-BIND.
9) Substructure Search
10) Functional Group Search
Use Ctrl or Command to select / de-select multiple functional groups.
Nitrogen-Based Groups
Oxygen-Based Groups
Sulfur-Based Groups
