Target name

O00748: Cocaine esterase


  Protein function

Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Shows high catalytic efficiency for hydrolysis of cocaine, 4-methylumbelliferyl acetate, heroin and 6-monoacetylmorphine.

  Database links

Uniprot primary ID O00748
PDB ID
DrugBank ID DB06695 DB06209 DB00688 DB00762
BioGrid ID 114351
GuidetoPHARMACOLOGY ID
PharmGKB ID PA377
KEGG ID hsa:8824
DIP ID
STRING ID 9606.ENSP00000317842
IntAct ID O00748
DMDM
BRENDA 3.1.1.1 3.1.1.84
Reactome
SignaLink
BioCyc
Entrez Gene (Gene ID) 8824
BindingDB O00748

  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 0.979 0.003 0.967 0.005 0.973 0.005 0.973 0.005 0.998 0.004 0.950 0.000 Download
Estate fingerprints 0.920 0.000 0.958 0.010 0.939 0.006 0.938 0.004 0.990 0.000 0.879 0.011 Download
MACCS fingerprints 0.885 0.008 0.969 0.004 0.927 0.007 0.925 0.008 0.990 0.000 0.859 0.014 Download
Daylight fingerprints 0.874 0.008 0.862 0.000 0.868 0.004 0.868 0.004 0.900 0.000 0.737 0.012 Download
ECFP2 fingerprints 0.990 0.000 0.950 0.004 0.970 0.000 0.970 0.000 0.996 0.005 0.939 0.006 Download
ECFP4 fingerprints 0.990 0.000 0.930 0.005 0.960 0.000 0.960 0.000 1.000 0.000 0.920 0.000 Download
ECFP6 fingerprints 0.988 0.004 0.922 0.005 0.955 0.005 0.958 0.004 1.000 0.000 0.913 0.008 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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