Target name

P04035: 3-hydroxy-3-methylglutaryl-coenzyme A reductase


  Protein 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

Uniprot primary ID P04035
PDB ID 1HW8 1HWL 2Q6B 1HWJ 1HWK 1HWI 2Q1L 3CD0 3CD7 3CD5 3CCW 3CCT 1DQA 1DQ8 1DQ9 3BGL 3CCZ 3CDB 3CDA 2Q6C 1HW9 2R4F
DrugBank ID DB01076 DB01098 DB00641 DB01095 DB00227 DB00175 DB08860
BioGrid ID 109399
GuidetoPHARMACOLOGY ID 639
PharmGKB ID PA189
KEGG ID hsa:3156
DIP ID
STRING ID 9606.ENSP00000287936
IntAct ID P04035
DMDM 123343
BRENDA 1.1.1.34
Reactome R-HSA-1989781 R-HSA-191273 R-HSA-2426168
SignaLink
BioCyc MetaCyc:HS03652-MONOMER
Entrez Gene (Gene ID) 3156
BindingDB P04035

  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 0.893 0.008 0.987 0.000 0.940 0.000 0.938 0.004 0.990 0.000 0.885 0.005 Download
Estate fingerprints 0.978 0.004 0.942 0.000 0.960 0.000 0.960 0.000 0.990 0.000 0.914 0.005 Download
MACCS fingerprints 0.960 0.000 0.980 0.000 0.970 0.000 0.970 0.000 0.999 0.003 0.940 0.000 Download
Daylight fingerprints 0.781 0.009 0.963 0.004 0.872 0.004 0.858 0.008 0.866 0.005 0.751 0.012 Download
ECFP2 fingerprints 0.943 0.009 1.000 0.000 0.972 0.008 0.969 0.006 1.000 0.000 0.944 0.010 Download
ECFP4 fingerprints 0.960 0.009 0.998 0.000 0.979 0.003 0.978 0.004 1.000 0.000 0.960 0.009 Download
ECFP6 fingerprints 0.937 0.008 1.000 0.000 0.971 0.006 0.969 0.003 1.000 0.000 0.938 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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