Target name

P33261: Cytochrome P450 2C19


  Protein function

Responsible for the metabolism of a number of therapeutic agents such as the anticonvulsant drug S-mephenytoin, omeprazole, proguanil, certain barbiturates, diazepam, propranolol, citalopram and imipramine.

  Database links

Uniprot primary ID P33261
PDB ID 4GQS
DrugBank ID DB01418 DB00898 DB00776 DB00678 DB01166 DB00675 DB00672
BioGrid ID 107935
GuidetoPHARMACOLOGY ID
PharmGKB ID PA124
KEGG ID hsa:1557
DIP ID
STRING ID 9606.ENSP00000360372
IntAct ID
DMDM 60416369
BRENDA
Reactome R-HSA-211999 R-HSA-211981 R-HSA-2142670 R-HSA-2142816
SignaLink
BioCyc MetaCyc:HS09293-MONOMER
Entrez Gene (Gene ID) 1557
BindingDB P33261

  Model Performance Metrics

Fingerprint type Sensitivity SEN_std Specificity SPE_std Accuracy ACC_std F1-score F1-score_std AUC AUC_std MCC MCC_std Download model
FP2 fingerprints 0.701 0.007 0.663 0.008 0.682 0.006 0.688 0.008 0.776 0.007 0.366 0.014 Download
Estate fingerprints 0.636 0.013 0.552 0.009 0.594 0.008 0.609 0.009 0.639 0.003 0.191 0.017 Download
MACCS fingerprints 0.640 0.011 0.558 0.011 0.599 0.010 0.614 0.008 0.672 0.004 0.197 0.016 Download
Daylight fingerprints 0.585 0.013 0.739 0.012 0.662 0.010 0.634 0.012 0.719 0.012 0.328 0.018 Download
ECFP2 fingerprints 0.755 0.012 0.675 0.013 0.715 0.008 0.726 0.010 0.809 0.006 0.432 0.018 Download
ECFP4 fingerprints 0.749 0.010 0.773 0.008 0.761 0.007 0.758 0.009 0.858 0.006 0.524 0.018 Download
ECFP6 fingerprints 0.705 0.010 0.833 0.008 0.769 0.007 0.754 0.008 0.844 0.005 0.546 0.014 Download

  Download datasets

Positive dataset Negative dataset


Copyright @ 2012-2014 Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

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 E-mail: biomed@csu.edu.cn