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P10635

Cytochrome P450 2D6


Function

Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.


Database Links

Database Links
UniProt P10635
PDB 2F9Q, 3QM4, 3TBG, 3TDA
BioGrid Not available
BindingDB P10635
DrugBank DB01193, DB00918, DB00866, DB01118, DB00321, DB00613, DB00182, DB01274, DB01238, DB00335, DB00289, DB00972, DB00612, DB00921, DB01156, DB01197, DB00521, DB01136, DB00482, DB00185, DB01114, DB00477, DB00672, DB00356, DB01410, DB00501, DB01012, DB00215, DB01242, DB00575, DB00257, DB00363, DB00318, DB00496, DB04840, DB00705, DB01151, DB00967, DB01191, DB01576, DB00514, DB00527, DB00586, DB00343, DB01075, DB00757, DB00843, DB01142, DB00476, DB01228, DB01175, DB00736, DB00574, DB01195, DB00623, DB00176, DB00983, DB00674, DB00317, DB01218, DB00502, DB00956, DB00327, DB00557, DB00458, DB00332, DB01167, DB01026, DB01210, DB00281, DB00455, DB00934, DB00454, DB00532, DB01071, DB00933, DB01403, DB01233, DB00264, DB00379, DB06148, DB01110, DB00683, DB00805, DB00370, DB01171, DB00295, DB01149, DB00622, DB00699, DB01115, DB00540, DB00904, DB00497, DB01192, DB01267, DB00377, DB00715, DB01074, DB00850, DB00914, DB00830, DB00960, DB01035, DB00433, DB01131, DB01069, DB01182, DB00647, DB00571, DB01224, DB00908, DB00468, DB00863, DB00243, DB00234, DB00734, DB00503, DB01037, DB06144, DB01104, DB00675, DB00857, DB00342, DB00679, DB00373, DB01409, DB01124, DB01036, DB00193, DB00752, DB00656, DB00726, DB00285, DB01624
Guide to PHARMACOLOGY Not available
PharmGKB PA128
KEGG hsa:1565
BioCyc Not available
Entrez Gene (GeneID) 1565

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.8771 0.0036
Accuracy 0.8073 0.0047
Sensitivity 0.8369 0.0069
Specificity 0.7706 0.007
BEDROC 0.9438 0.008
MCC Threshold 0.55 N/A
MCC 0.605 N/A
F-score Threshold 0.426 N/A
F-score 0.8282 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 14:39:23