Target name

P16184: Dihydrofolate reductase


  Protein function

Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.

  Database links

Uniprot primary ID P16184
PDB ID 1DAJ 1S3Y 2CD2 3TD8 3NZA 3NZC 3NZB 4G8Z 3CD2 2FZH 2FZI 4IXE 4IXG 4IXF 4CD2 1DYR 1KLK 4QJZ 3NZ9 1E26 1CD2 3NZ6 1VJ3 1LY3 1LY4
DrugBank ID
BioGrid ID
GuidetoPHARMACOLOGY ID
PharmGKB ID
KEGG ID
DIP ID
STRING ID
IntAct ID
DMDM
BRENDA 1.5.1.3
Reactome
SignaLink
BioCyc
Entrez Gene (Gene ID)
BindingDB P16184

  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 0.969 0.003 0.987 0.000 0.978 0.004 0.978 0.004 0.990 0.000 0.949 0.003 Download
Estate fingerprints 0.932 0.004 0.950 0.000 0.941 0.003 0.941 0.003 0.990 0.000 0.884 0.005 Download
MACCS fingerprints 0.969 0.003 0.971 0.000 0.970 0.000 0.970 0.000 1.000 0.000 0.944 0.005 Download
Daylight fingerprints 0.897 0.005 0.983 0.005 0.940 0.000 0.939 0.003 0.990 0.000 0.886 0.005 Download
ECFP2 fingerprints 1.000 0.000 0.980 0.003 0.990 0.000 0.990 0.000 1.000 0.000 0.980 0.000 Download
ECFP4 fingerprints 0.999 0.003 0.993 0.000 0.996 0.005 0.996 0.005 1.000 0.000 0.989 0.003 Download
ECFP6 fingerprints 0.990 0.000 0.990 0.000 0.990 0.000 0.990 0.000 1.000 0.000 0.990 0.000 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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