TargetNet


P42330

Aldo-keto reductase family 1 member C3


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

Database Links
UniProt P42330
PDB 1RY0, 1RY8, 1S1P, 1S1R, 1S2A, 1S2C, 1XF0, 1ZQ5, 2F38, 2FGB, 3R43, 3R58, 3R6I, 3R7M, 3R8G, 3R8H, 3R94, 3UFY, 3UG8, 3UGR, 3UWE, 4DBS, 4DBU, 4DBW, 4DZ5, 4FA3, 4FAL, 4FAM, 4H7C, 4HMN
BioGrid 114196
BindingDB P42330
DrugBank DB01093, DB00157
Guide to PHARMACOLOGY Not available
PharmGKB PA24679
KEGG hsa:8644
BioCyc Not available
Entrez Gene (GeneID) 8644

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.952 0.0025
Accuracy 0.903 0.0056
Sensitivity 0.9151 0.0074
Specificity 0.8879 0.0096
BEDROC 0.9885 0.0137
MCC Threshold 0.522 N/A
MCC 0.8261 N/A
F-score Threshold 0.522 N/A
F-score 0.9222 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 14:39:38