TargetNet


P04035

3-hydroxy-3-methylglutaryl-coenzyme A reductase


Function

Transmembrane glycoprotein that is the rate-limiting enzyme in cholesterol biosynthesis as well as in the biosynthesis of nonsterol isoprenoids that are essential for normal cell function including ubiquinone and geranylgeranyl proteins.


Database Links

Database Links
UniProt P04035
PDB 1DQ8, 1DQ9, 1DQA, 1HW8, 1HW9, 1HWI, 1HWJ, 1HWK, 1HWL, 2Q1L, 2Q6B, 2Q6C, 2R4F, 3BGL, 3CCT, 3CCW, 3CCZ, 3CD0, 3CD5, 3CD7, 3CDA, 3CDB
BioGrid 109399
BindingDB P04035
DrugBank DB01076, DB01393, DB00439, DB01095, DB00227, DB00157, DB00175, DB01098, DB00641
Guide to PHARMACOLOGY 639
PharmGKB PA189
KEGG hsa:3156
BioCyc MetaCyc:HS03652-MONOMER
Entrez Gene (GeneID) 3156

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.98 0.0057
Accuracy 0.9285 0.0052
Sensitivity 0.9356 0.0101
Specificity 0.922 0.0088
BEDROC 0.9981 0.003
MCC Threshold 0.364 N/A
MCC 0.8666 N/A
F-score Threshold 0.364 N/A
F-score 0.9318 N/A

Downloads

R Model Object

Random Forest model object (.RData)

Download RData

Positive Set

SMILES string + affinity value (.tsv)

Download TSV


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Page generated on: 2014-04-29 14:39:18