SEA26:Annotated ligands

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Here is how you can get info about what is annotated for a target in SEA26


  • a. cd /mnt/nfs/exf/SEA/sea_data/chembl36/Homo (e.g.)
  • b. go to google : HTR2C ChEMBL code -> 225
  • c. awk -F ‘\t’ ‘{print $5,$4}’ CHEMBL225.tsv  >  ~/chembl225.txt
  • d. open chembl225.txt into DataWarrior, compute Tc to your query compound.
  • e. compare to what is in sea16. -> solve mystery for why HTR2C is not scoring well in sea26.

We should make this work from the GUI.

  • must add code to do similarity.
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