Target name

P29466: Caspase-1


  Protein function

Thiol protease that cleaves IL-1 beta between an Asp and an Ala, releasing the mature cytokine which is involved in a variety of inflammatory processes. Important for defense against pathogens. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Can also promote apoptosis.

  Database links

Uniprot primary ID P29466
PDB ID 1BMQ 3D6H 1ICE 3NS7 2H48 1SC4 1SC1 1SC3 2FQQ 2HBY 2HBZ 2H4Y 2H4W 2HBQ 2HBR 1RWX 3D6F 1IBC 3E4C 1RWP 3D6M 1RWV 1RWW 1RWK 1RWM 1RWN 1RWO 2H51 2H54
DrugBank ID DB01017
BioGrid ID 107284
GuidetoPHARMACOLOGY ID 1617
PharmGKB ID PA26083
KEGG ID hsa:834
DIP ID DIP-175N
STRING ID 9606.ENSP00000410076
IntAct ID P29466
DMDM 266321
BRENDA 3.4.22.36
Reactome R-HSA-844623 R-HSA-844615 R-HSA-448706 R-HSA-168638 R-HSA-844456
SignaLink P29466
BioCyc
Entrez Gene (Gene ID) 834
BindingDB P29466

  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 0.938 0.004 0.924 0.000 0.931 0.003 0.931 0.003 0.966 0.005 0.864 0.005 Download
Estate fingerprints 0.874 0.005 0.806 0.000 0.840 0.000 0.850 0.000 0.920 0.000 0.688 0.004 Download
MACCS fingerprints 0.880 0.000 0.860 0.005 0.870 0.000 0.870 0.000 0.930 0.000 0.741 0.006 Download
Daylight fingerprints 0.742 0.004 0.938 0.005 0.840 0.000 0.820 0.000 0.930 0.000 0.690 0.000 Download
ECFP2 fingerprints 0.920 0.000 0.958 0.005 0.939 0.003 0.938 0.004 0.980 0.000 0.876 0.005 Download
ECFP4 fingerprints 0.931 0.003 0.989 0.000 0.960 0.000 0.955 0.005 0.990 0.000 0.911 0.003 Download
ECFP6 fingerprints 0.940 0.000 0.980 0.000 0.960 0.000 0.960 0.000 0.990 0.000 0.927 0.005 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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