Macs in Chemistry

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ChEMBL Extension

ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). It contains data for about 650,000 unique molecules and has 3,030,317 pieces of activity data abstracted from over 39,000 publications. Matt at Mac OS X Tips has now written an extension that allows you to search drug names.

After you have downloaded the extension from here simply double click and install and it is ready to use.

If a page contains a drug name (this page describes AOX1 substrates), select the name and right click (or control click) and an option appears to search for the highlighted drug on ChEMBL.

chembl1 Click on Search for “Carbazeran” on ChEMBL option and the structure appears in a small popup window on the page as shown below, if you then click on the view option the compound record card in EMBL will be displayed.

chembl2

If you go to the Safari preferences and select the “Extensions” tab you can alter any preferences that may be available for a particular extension.

Back to list of extensions Updated 4 June 2011