XIAPin: A webserver to predict inhibitors against XIAP proteins
XIAPin Draw & Predict Screen Analogs Potential Inhibitors Techniques Download Data More Info Team Approach Us


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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

  Carbotope
ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)
Descriptors

  Format Conversion

  WebCDK

  MetaServer
     
                                                       Help

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.



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Screen

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.



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Analogs

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.




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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.




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