GDoQ: Prediction of GLMU inhibiotors using QSAR and Docking

GDoQ
Prediction of GLMU inhibitors using QSAR and AutoDock

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

Carbotope

ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)

Descriptors

  Format Conversion

  WebCDK

  MetaServer

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)
MOL MOL2