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  

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