Welcome to the SwissBioisostere databaseThis website provides access to our knowledgebase of molecular replacements, useful for compound optimization in drug design.
Two different queries are possible:
- you are interested in a range of possible replacements for a single substructure
( e.g. replacements for an amide group )
- you want to know details about a particular substructural replacement of interest
( e.g. carboxylic acid vs. tetrazole )
Depending on your question, please enter either one or two substructures of interest in the following molecular sketchers. By submitting via "Query Database" the database will be queried.
For a replacement A->B query, please indicate attachment points in your substructures by R-groups R1-R3.
Examples can be found here.
|Fragment 1||Fragment 2|