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)  
 
 
 
http://dud.docking.org/    
 
 
 
 
  • United States 
Ligand/binding/crystal Structure Databases
 
 
 
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