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



This page will help users to understand the working of modules available in XIAPin. Table below listed the modules names, user can click them to go directly at any of the mntioned topic.

Draw & PredictScreenAnalogsPotential Inhibitors

Draw & Predict

This tool allow user to draw chemical structure of their molecule by using JME editor. On submission, XIAPin server returns with pIC50 values with an option to calculate chemical descriptors of the query molecule.



In this module, we provide the provision to screen a large number of molecules at one go. User can provide the whole set molecules in SDF format and XIAPin will return their prodicted pIC50.



In this module user can design their own molecule by providing the three requirements i.e. scaffold, linkers and building blocks. XIAPin will assemble all these inputs in all the posible way and return all the generated analogs with their pIC50 values.


Potential Inhibitors

In this module, we have provided the list of FDA approved drugs and ZINC molecules with their precomputed pIC50 values, which could be useful from the drug repositioning point of view.