How to query ChEMBL in ICM?

[Andrew Orry]

Q. How to query ChEMBL in ICM?

A.

You can use the GUI as described here: http://www.molsoft.com/gui/how-to-search.html#search-chembl

or use this macro:

findChembl macro returns chembl activity data for either chemical or protein queries
       from a local chembl database in the Molsoft Cloud.

      Usage: findChembl <string> <type>
      Parameter:
        - query string
        - type:
            - 'chem'      : chemical name,
            - 'chembl id' : ChEMBL id,
            - 'smiles'    : smiles,
            - 'substruct' : substruct,
            - 'uniprot id': uniprot id,
            - 'uniprot ac': uniprot accession number,
            - 'protein'   : protein name