XIAPin Draw & Predict Screen Analogs Potential Inhibitors Techniques Download Data More Info Team Approach Us

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



Multiple Submission

This tool allow users to submit more than one chemical compounds in SDF format at a time and subsequent prediction of pIC50 (µM). There are two models provided here on this page for the users, (1) QSAR based model: This model uses PaDEL based descriptors for the prediction of pIC50 and (2). Similarity based model: This model first calculates the similarity of the input molecule with the known inhibitors of XIAP and input molecule will be assigned with average pIC50 of top 10 similar inhibitors (based of tanimoto coefficient) as predicted pIC50. For more information click help.

  Paste your structure(s) in SDF format


OR  Upload File :   example file

QSAR Based       Similarity Based

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