TargetNet


P39900

Macrophage metalloelastase


Function

May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.


Database Links

Database Links
UniProt P39900
PDB 1JIZ, 1JK3, 1OS2, 1OS9, 1RMZ, 1ROS, 1UTT, 1UTZ, 1Y93, 1YCM, 1Z3J, 2HU6, 2JXY, 2K2G, 2K9C, 2KRJ, 2OXU, 2OXW, 2OXZ, 2POJ, 2W0D, 2WO8, 2WO9, 2WOA, 2Z2D, 3BA0, 3EHX, 3EHY, 3F15, 3F16, 3F17, 3F18, 3F19, 3F1A, 3LIK, 3LIL, 3LIR, 3LJG, 3LK8, 3LKA, 3N2U, 3N2V, 3NX7, 3RTS, 3RTT, 3TS4, 3TSK, 3UVC, 4EFS, 4GQL, 4GR0, 4GR3, 4GR8, 4GUY, 4H30, 4H49, 4H76, 4H84, 4I03, 4IJO
BioGrid 110464
BindingDB P39900
DrugBank DB00551
Guide to PHARMACOLOGY Not available
PharmGKB PA30870
KEGG hsa:4321
BioCyc Not available
Entrez Gene (GeneID) 4321

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.9548 0.0024
Accuracy 0.8982 0.0067
Sensitivity 0.9164 0.0031
Specificity 0.8783 0.0124
BEDROC 0.9955 0.0042
MCC Threshold 0.57 N/A
MCC 0.8365 N/A
F-score Threshold 0.57 N/A
F-score 0.9202 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 14:39:37