Target name

P39900: Macrophage metalloelastase


  Protein 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

Uniprot primary ID P39900
PDB ID 2KRJ 1UTT 2MLR 3EHX 3EHY 1UTZ 1Y93 3RTT 3UVC 4H76 2POJ 1JIZ 2W0D 3LJG 1YCM 2HU6 3LK8 2WOA 2OXZ 2OXU 2OXW 2K2G 4EFS 3RTS 3N2U 3F15 3F16 3F17 3F18 2JXY 2MLS 3F1A 2Z2D 3BA0 4GQL 3N2V 2K9C 4GUY 3TSK 4IJO 3F19 2WO8 2WO9 4I03 1OS2 3NX7 4H49 1OS9 3LIL 3LIR 4GR8
DrugBank ID DB00786 DB00551
BioGrid ID 110464
GuidetoPHARMACOLOGY ID 1636
PharmGKB ID PA30870
KEGG ID hsa:4321
DIP ID
STRING ID
IntAct ID P39900
DMDM 729179
BRENDA
Reactome R-HSA-1474228 R-HSA-1442490
SignaLink
BioCyc
Entrez Gene (Gene ID) 4321
BindingDB P39900

  Model Performance Metrics

Fingerprint type Sensitivity SEN_std Specificity SPE_std Accuracy ACC_std F1-score F1-score_std AUC AUC_std MCC MCC_std Download model
FP2 fingerprints 0.847 0.005 0.913 0.005 0.880 0.000 0.877 0.005 0.930 0.000 0.764 0.005 Download
Estate fingerprints 0.828 0.013 0.770 0.005 0.799 0.009 0.804 0.010 0.880 0.000 0.596 0.018 Download
MACCS fingerprints 0.769 0.010 0.809 0.007 0.789 0.006 0.787 0.008 0.875 0.005 0.584 0.012 Download
Daylight fingerprints 0.798 0.009 0.876 0.005 0.837 0.007 0.833 0.007 0.897 0.005 0.680 0.013 Download
ECFP2 fingerprints 0.898 0.009 0.900 0.004 0.899 0.006 0.900 0.007 0.960 0.000 0.799 0.012 Download
ECFP4 fingerprints 0.905 0.005 0.953 0.009 0.929 0.003 0.928 0.004 0.978 0.004 0.860 0.008 Download
ECFP6 fingerprints 0.872 0.004 0.980 0.005 0.926 0.005 0.922 0.004 0.972 0.004 0.855 0.007 Download

  Download datasets

Positive dataset Negative dataset


Copyright @ 2012-2014 Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

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