Target name

P42330: Aldo-keto reductase family 1 member C3


  Protein function

Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.

  Database links

Uniprot primary ID P42330
PDB ID 1XF0 1S1R 1S1P 3R43 4DBS 4DBW 4XVD 4DBU 4HMN 4FA3 2FGB 3R8H 1ZQ5 3R6I 4WDX 2F38 3R94 4WDW 4WDU 3UGR 3R58 4DZ5 3R7M 1S2C 1S2A 3UG8 3UWE 4XVE 3UFY 4FAM 4FAL 4H7C 3R8G 1RY8 1RY0 4WDT 4WRH
DrugBank ID DB00997 DB00905
BioGrid ID 114196
GuidetoPHARMACOLOGY ID
PharmGKB ID PA24679
KEGG ID hsa:8644
DIP ID
STRING ID 9606.ENSP00000369927
IntAct ID P42330
DMDM 308153646
BRENDA 1.1.1.239 1.3.1.20 1.1.1.21 1.1.1.64
Reactome R-HSA-5365859 R-HSA-193807 R-HSA-193368 R-HSA-193775 R-HSA-2162123 R-HSA-975634
SignaLink
BioCyc
Entrez Gene (Gene ID) 8644
BindingDB P42330

  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 0.953 0.005 0.949 0.004 0.951 0.003 0.951 0.003 0.981 0.003 0.901 0.006 Download
Estate fingerprints 0.912 0.006 0.868 0.007 0.890 0.005 0.892 0.006 0.960 0.000 0.780 0.009 Download
MACCS fingerprints 0.954 0.005 0.876 0.005 0.915 0.005 0.921 0.003 0.960 0.000 0.835 0.007 Download
Daylight fingerprints 0.753 0.005 0.827 0.005 0.790 0.000 0.780 0.000 0.880 0.000 0.581 0.003 Download
ECFP2 fingerprints 0.970 0.000 0.930 0.000 0.950 0.000 0.950 0.000 0.990 0.000 0.900 0.000 Download
ECFP4 fingerprints 0.963 0.005 0.947 0.007 0.955 0.005 0.955 0.005 0.990 0.000 0.908 0.004 Download
ECFP6 fingerprints 0.957 0.005 0.963 0.005 0.960 0.000 0.960 0.000 0.990 0.000 0.915 0.005 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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