Target name

P11712: Cytochrome P450 2C9


  Protein function

Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.

  Database links

Uniprot primary ID P11712
PDB ID 1OG5 4NZ2 1R9O 1OG2
DrugBank ID DB01418 DB00898 DB00678 DB04574 DB01411 DB00891 DB00672
BioGrid ID 107937
GuidetoPHARMACOLOGY ID
PharmGKB ID PA126
KEGG ID hsa:1559
DIP ID
STRING ID 9606.ENSP00000260682
IntAct ID P11712
DMDM 6686268
BRENDA 1.14.99.38
Reactome R-HSA-211999 R-HSA-211981 R-HSA-2142670 R-HSA-2142816
SignaLink
BioCyc
Entrez Gene (Gene ID) 1559
BindingDB P11712

  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 0.704 0.008 0.702 0.007 0.703 0.005 0.703 0.005 0.769 0.003 0.406 0.008 Download
Estate fingerprints 0.709 0.003 0.595 0.005 0.652 0.004 0.671 0.003 0.700 0.000 0.305 0.005 Download
MACCS fingerprints 0.666 0.005 0.626 0.006 0.646 0.005 0.653 0.005 0.693 0.005 0.292 0.006 Download
Daylight fingerprints 0.658 0.004 0.582 0.006 0.620 0.000 0.632 0.004 0.670 0.000 0.239 0.007 Download
ECFP2 fingerprints 0.799 0.007 0.693 0.008 0.746 0.005 0.758 0.004 0.840 0.000 0.494 0.008 Download
ECFP4 fingerprints 0.735 0.005 0.809 0.006 0.772 0.004 0.763 0.005 0.857 0.005 0.548 0.008 Download
ECFP6 fingerprints 0.700 0.007 0.842 0.007 0.771 0.006 0.753 0.005 0.853 0.005 0.547 0.009 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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