Target name

P23141: Liver carboxylesterase 1


  Protein function

Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.

  Database links

Uniprot primary ID P23141
PDB ID 2H7C 1YA8 2DQZ 2DQY 4AB1 3K9B 1YA4 2HRR 2HRQ 1YAH 1YAJ 1MX1 1MX5 2DR0 1MX9
DrugBank ID DB00328 DB00762 DB02659 DB00758 DB01101 DB00688 DB06201
BioGrid ID 107494
GuidetoPHARMACOLOGY ID 2592
PharmGKB ID PA107
KEGG ID hsa:1066
DIP ID
STRING ID 9606.ENSP00000353720
IntAct ID P23141
DMDM 119576
BRENDA 3.1.1.1
Reactome
SignaLink
BioCyc MetaCyc:HS11616-MONOMER
Entrez Gene (Gene ID) 1066
BindingDB P23141

  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 0.978 0.004 0.926 0.006 0.952 0.004 0.952 0.004 0.990 0.000 0.903 0.007 Download
Estate fingerprints 0.916 0.005 0.904 0.005 0.910 0.000 0.910 0.000 0.970 0.000 0.814 0.005 Download
MACCS fingerprints 0.905 0.005 0.919 0.005 0.912 0.004 0.910 0.005 0.961 0.003 0.824 0.008 Download
Daylight fingerprints 0.765 0.008 0.855 0.000 0.810 0.005 0.801 0.006 0.885 0.005 0.621 0.006 Download
ECFP2 fingerprints 0.970 0.000 0.920 0.007 0.945 0.005 0.945 0.005 0.990 0.000 0.891 0.007 Download
ECFP4 fingerprints 0.991 0.006 0.909 0.005 0.950 0.000 0.950 0.000 0.995 0.005 0.902 0.004 Download
ECFP6 fingerprints 0.980 0.007 0.936 0.005 0.958 0.004 0.958 0.004 0.995 0.005 0.918 0.006 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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