Sketch Interface

Search Type:

Similarity:(≥ 0.4)
Substructure
Exact

Activity Filter:

≤Ki (nM)≤
≤IC50 (nM)≤
≤ΔG° (kcal/mol)≤

Molecular Weight Filter: ≤MW≤ Limit hits to HETs from the PDB noyes ANDOR Browse for and upload your compound file (only first 100 compounds are processed). Acceptable formats are detailed here. Examples include SDfiles and SMILES lists.

Help Check all Targets to be included in search. If none are checked, all will be included.

This search will returns compounds in the BindingDB that match the drawn compound. You can choose between "Exact" match of the entire molecule; exact "Substructure" match; or fingerprint-based similarity, with a selectable similarity percentage.