Target name

Q8N1Q1: Carbonic anhydrase 13


  Protein function

Reversible hydration of carbon dioxide.

  Database links

Uniprot primary ID Q8N1Q1
PDB ID 4KNM 4KNN 4HU1 4QSJ 4QJP 3DA2 3CZV 4QIZ 4QJX 3D0N
DrugBank ID DB00909
BioGrid ID
GuidetoPHARMACOLOGY ID
PharmGKB ID PA134891311
KEGG ID hsa:377677
DIP ID
STRING ID 9606.ENSP00000318912
IntAct ID
DMDM 30580350
BRENDA
Reactome R-HSA-1475029
SignaLink
BioCyc
Entrez Gene (Gene ID) 377677
BindingDB Q8N1Q1

  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 0.940 0.005 0.958 0.003 0.949 0.003 0.949 0.003 0.984 0.005 0.892 0.008 Download
Estate fingerprints 0.802 0.015 0.918 0.011 0.860 0.007 0.850 0.009 0.940 0.000 0.727 0.014 Download
MACCS fingerprints 0.768 0.008 0.872 0.000 0.820 0.000 0.812 0.004 0.940 0.000 0.642 0.004 Download
Daylight fingerprints 0.786 0.007 0.784 0.000 0.785 0.005 0.785 0.005 0.823 0.005 0.572 0.010 Download
ECFP2 fingerprints 0.951 0.014 0.951 0.009 0.951 0.009 0.951 0.009 0.990 0.000 0.900 0.016 Download
ECFP4 fingerprints 0.971 0.010 0.945 0.007 0.958 0.004 0.958 0.004 0.990 0.000 0.915 0.010 Download
ECFP6 fingerprints 0.952 0.011 0.944 0.008 0.948 0.008 0.948 0.008 0.990 0.000 0.895 0.017 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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