2D Similarity of Ligands

Information

Starting from a certain compound, the database Super Ligands can be searched for similar molecules. A 2D similarity search is performed by calculating Tanimoto coefficients for the given ligand and the other compounds. Those ligands with the highest Tanimoto similarities are displayed.



In the second panel you can compare two molecules by computing their Tanimoto coefficient.

Search ligands similar to a given ligand

Hetero-ID:		e.g. IBP
Max. no of results:		default: 50, max: 300

Search ligands similar to a given drug

CAS-ID:		e.g. 15687-27-1 for ibuprofen
Max. no of results:		default: 50, max: 300

Compare two ligands by computing the Tanimoto coefficient

Hetero-ID 1:		e.g. IBP
Hetero-ID 2:		e.g. SWF