XIAPin: A webserver to predict inhibitors against XIAP proteins
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



Design Analogs

This tool allow users to generate analogs from scaffold, building blocks and linkers and subsequent prediction of their 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 Scaffold structure:
Paste Building Blocks structure:
Paste linkers :

QSAR Based       Similarity Based

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