Prediction of GLMU inhibitors using QSAR and AutoDock

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Inhibitor Prediction

  KiDoQ (Mtb target)

  GDoQ (Mtb target)

  ABMpred (Mtb target)

  eBooster (Mtb target)

  MDRIpred (Mtb cell)

  CancerIN (Cancer)

  ntEGFR (Cancer EGFR)

  EGFRpred (Cancer EGFR)

  DiPCell (Pancreatic Cancer)

  DMKPred (Human Kinases)

  TLR4HI (Human TLR4)

  HIVFin (HIV)

Antigenic Properties

ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)

  Format Conversion


      GDoQ: Prediction of GLMU inhibiotors using QSAR and Docking
Examples File in mol (test.mol) and mol2 (test.mol2)

Submission Form

GDoQ server allow to predict IC50 value of the compound against GlmU enzyme. You may submit molecules using any of the 3 methods.
1. Sketch using JME editor.
2. Paste molecules in the box.
3. Upload file containing moleclues in standard format.
Sketch Structure using JME editor
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(JME Editor courtesy of Peter Ertl, Novartis)

   Paste structure in Mol/Mol2 format    

    Upload File in Mol/Mol2 format    

   Select the input format (If structure is pasted or uploaded)


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