ReCore – example 1: HIV Reverse Transcriptase
Are results similar to known inhibitors?
Here is CSD MSC194 with the two green bonds defining the query "exit vectors":
         
Here are results (yellow), overlaid with the query:
   
  Rank: 4 1 125  
  CSD: MOZJUG CABVAD XUCPUG  
  PDB analog: 1eet 1s9e 1ddt  
Here are closely related inhibitors (in orange) superimposed with the ReCore solutions:
     
  PDB: 1eet 1s9e 1ddt  
  Note: amide flip suggestion meta substituted aromatics a close match to a Trovirdine derivative