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P00915

Carbonic anhydrase 1


Function

Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.


Database Links

Database Links
UniProt P00915
PDB 1AZM, 1BZM, 1CRM, 1CZM, 1HCB, 1HUG, 1HUH, 1J9W, 1JV0, 2CAB, 2FOY, 2FW4, 2IT4, 2NMX, 2NN1, 2NN7, 3LXE, 3W6H, 3W6I
BioGrid 107214
BindingDB P00915
DrugBank DB00819, DB00381, DB00436, DB00562, DB01194, DB00880, DB00606, DB01119, DB01144, DB01031, DB00311, DB00999, DB00774, DB01202, DB00703, DB00232, DB01325, DB01021, DB00661, DB00909
Guide to PHARMACOLOGY 2597
PharmGKB PA25984
KEGG hsa:759
BioCyc Not available
Entrez Gene (GeneID) 759

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.9478 0.0012
Accuracy 0.8865 0.0031
Sensitivity 0.8946 0.0049
Specificity 0.8781 0.0028
BEDROC 0.9707 0.0052
MCC Threshold 0.398 N/A
MCC 0.7774 N/A
F-score Threshold 0.372 N/A
F-score 0.8935 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 14:39:17