CancerDR: Cancer Drug Resistance Database

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Structure Similarity Search

It is important to know whether structure of my molecule have any structural similarity with structure of any anticancer drug. This module facilitates users to search structure of their molecule against structures of anticancer drugs stored in CancerDR. You may submit a single molecules using any of the three methods, use one method at a time; 1) Sketch using JME editor, 2) Paste molecules in the box and 3) Upload file containing a molecule. Note: Java should be enabled in your browser for proper functioning of the this module. For more information, please click Help

Submit your structure for similarity search
Method 1. Sketch Structure using JME editor 

Warning ::Your Browser is either Not Supporting Applets or Java, Kindly use a browser that understands applets
You have to enable Java and JavaScritpt on your machine !

(JME Editor courtesy of Peter Ertl, Novartis)
Method 2. Paste structure in Mol/SMILE/SDF format

Method 3.  Upload File :   example file
Select the input format (If you are using Method 2 or 3) : MOL SMILE SDF
Select type of search: Substructure Search | Exact Search | Exact Fragment search | Superstructure Search