Draw a structure or paste a SMILES string below, and/or upload a file
Similarity: (≥ 0.4)
< Ki (nM) <
< IC50 (nM) <
< ΔG° (kcal/mol) <
Molecular Weight Filter:
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Is every molecule a HET in PDB? noyes
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 If no Targets are checked, all will be included in search
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.