TargetNet


P15121

Aldose reductase


Function

Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.


Database Links

Database Links
UniProt P15121
PDB 1ABN, 1ADS, 1AZ1, 1AZ2, 1EF3, 1EL3, 1IEI, 1MAR, 1PWL, 1PWM, 1T40, 1T41, 1US0, 1X96, 1X97, 1X98, 1XGD, 1Z3N, 1Z89, 1Z8A, 2ACQ, 2ACR, 2ACS, 2ACU, 2AGT, 2DUX, 2DUZ, 2DV0, 2F2K, 2FZ8, 2FZ9, 2FZB, 2FZD, 2HV5, 2HVN, 2HVO, 2I16, 2I17, 2IKG, 2IKH, 2IKI, 2IKJ, 2INE, 2INZ, 2IPW, 2IQ0, 2IQD, 2IS7, 2ISF, 2J8T, 2NVC, 2NVD, 2PD5, 2PD9, 2PDB, 2PDC, 2PDF, 2PDG, 2PDH, 2PDI, 2PDJ, 2PDK, 2PDL, 2PDM, 2PDN, 2PDP, 2PDQ, 2PDU, 2PDW, 2PDX, 2PDY, 2PEV, 2PF8, 2PFH, 2PZN, 2QXW, 2R24, 3BCJ, 3DN5, 3G5E, 3GHR, 3GHS, 3GHT, 3GHU, 3LBO, 3LD5, 3LEN, 3LEP, 3LQG, 3LQL, 3LZ3, 3LZ5, 3M0I, 3M4H, 3M64, 3MB9, 3MC5, 3ONB, 3ONC, 3P2V, 3Q65, 3Q67, 3RX2, 3RX3, 3RX4, 3S3G, 3T42, 3U2C, 3V35, 3V36, 4GCA, 4GQ0, 4JIR
BioGrid 106732
BindingDB P15121
DrugBank DB00157, DB00605
Guide to PHARMACOLOGY Not available
PharmGKB PA24675
KEGG hsa:231
BioCyc MetaCyc:HS01502-MONOMER
Entrez Gene (GeneID) 231

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.9603 0.0036
Accuracy 0.8992 0.0056
Sensitivity 0.8861 0.0092
Specificity 0.911 0.0058
BEDROC 0.9891 0.0038
MCC Threshold 0.448 N/A
MCC 0.821 N/A
F-score Threshold 0.376 N/A
F-score 0.9074 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 14:39:25