TargetNet


P04818

Thymidylate synthase


Function

Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.


Database Links

Database Links
UniProt P04818
PDB 1HVY, 1HW3, 1HW4, 1HZW, 1I00, 1JU6, 1JUJ, 1YPV, 2ONB, 2RD8, 2RDA, 3EAW, 3EBU, 3ED7, 3EDW, 3EF9, 3EGY, 3EHI, 3EJL, 3GG5, 3GH0, 3GH2, 3H9K, 3HB8, 3N5E, 3N5G, 3OB7, 4E28, 4FGT, 4G2O, 4G6W, 4GD7, 4GYH, 4H1I
BioGrid 113149
BindingDB P04818
DrugBank DB01101, DB00322, DB00544, DB00441, DB00650, DB00642, DB00293, DB00432
Guide to PHARMACOLOGY 2642
PharmGKB PA359
KEGG hsa:7298
BioCyc MetaCyc:HS11096-MONOMER
Entrez Gene (GeneID) 7298

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.9281 0.0039
Accuracy 0.8763 0.0027
Sensitivity 0.8588 0.0094
Specificity 0.8923 0.0058
BEDROC 0.9872 0.0025
MCC Threshold 0.542 N/A
MCC 0.7668 N/A
F-score Threshold 0.508 N/A
F-score 0.8769 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