Data source details

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John J. Irwin [jji@cgl.ucsf.edu]
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DUD is designed to help test docking algorithms by providing challenging decoys. It contains:

  • A total of 2,950 active compounds against a total of 40 targets
  • For each active, 36 "decoys" with similar physical properties (e.g. molecular weight, calculated LogP) but dissimilar topology.

 


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University of California (UCSF)  

 

 

 


 

 

 

 

United States 

Ligand/binding/crystal Structure Databases



 

 

 

Yes

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