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P33261

Cytochrome P450 2C19


Function

Responsible for the metabolism of a number of therapeutic agents such as the anticonvulsant drug S-mephenytoin, omeprazole, proguanil, certain barbiturates, diazepam, propranolol, citalopram and imipramine.


Database Links

Database Links
UniProt P33261
PDB 4GQS
BioGrid 107935
BindingDB P33261
DrugBank DB00546, DB01424, DB00321, DB01060, DB01274, DB00188, DB00395, DB00356, DB01166, DB00215, DB01211, DB00349, DB01151, DB00967, DB00586, DB00343, DB00625, DB00736, DB00927, DB00949, DB01216, DB01544, DB00176, DB00983, DB01320, DB01018, DB00458, DB00328, DB01026, DB00448, DB01259, DB00455, DB01065, DB00532, DB00333, DB00849, DB01171, DB00745, DB00220, DB00622, DB00665, DB00506, DB00338, DB00776, DB00213, DB00738, DB01174, DB00252, DB00794, DB00396, DB01131, DB00420, DB00908, DB01129, DB00863, DB00503, DB01037, DB01104, DB00231, DB00444, DB00342, DB01041, DB00679, DB00208, DB01124, DB00273, DB00752, DB00197, DB01361, DB00582
Guide to PHARMACOLOGY Not available
PharmGKB PA124
KEGG hsa:1557
BioCyc MetaCyc:HS09293-MONOMER
Entrez Gene (GeneID) 1557

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.7945 0.0112
Accuracy 0.7275 0.0122
Sensitivity 0.6811 0.0185
Specificity 0.7692 0.0139
BEDROC 0.9148 0.0189
MCC Threshold 0.46 N/A
MCC 0.4926 N/A
F-score Threshold 0.458 N/A
F-score 0.7408 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 14:39:35