ntEGFR: A webserver to predict EGFR inhibitors
Home Virtual Screening Analogs Design Sketch Molecule Algorithm Dataset Help Developers Contact Us

Home OSCADD
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
     

Virtual Screening Module of ntEGFR

This module allow users to screen chemical with highest inhibition acitivity against wild and/or mutant EGFR. User may submit large number of chemicals/molecules for predicting their inhibitory activity against EGFR (derivatives of quinazoline against wild EGFR and imidazothiazoles/pyrazolopyrimidines derivatives against mutant EGFR). Server also allow users to sort their molecules according to their inhibition potential that will help the user to find best inhibitor in their chemical library.
In order to assist the user, we have provided the example file containing different molecules. User can load example structure by clicking on the "use example" button. For more information click help.
Paste your structure(s) and select appropriate file format


OR  Upload File :  
  Select the input format       SDF MOL MOL2 Smile
  Select model for prediction: EGFRwild (against wild EGFR)   EGFRmutant ( L858R EGFR mutant)   EGFRhybrid (both wild & mutant EGFR)  
  Email Address (Optional):