Target name

P21836: Acetylcholinesterase


  Protein function

Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.

  Database links

Uniprot primary ID P21836
PDB ID 4A16 4ARB 1Q84 1Q83 4B82 4B7Z 3ZLV 3ZLU 3ZLT 2XUI 4BTL 1KU6 2XUQ 2XUP 2XUK 1N5M 1N5R 2XUH 2WU4 2XUJ 2WU3 2XUO 2C0Q 2C0P 4ARA 2XUG 1C2B 2JF0 1J06 2HA4 2Y2U 1C2O 2Y2V 1J07 4B83 4B80 4B81 1MAA 4B84 4B85 4A23 1MAH 2HA5 3DL4 2HA7 2HA6 2JEZ 2XUD 2WHQ 2WHP 2WHR
DrugBank ID
BioGrid ID 197921
GuidetoPHARMACOLOGY ID
PharmGKB ID
KEGG ID mmu:11423
DIP ID
STRING ID 10090.ENSMUSP00000024099
IntAct ID P21836
DMDM
BRENDA 3.1.1.7
Reactome R-MMU-112311 R-MMU-1483191
SignaLink
BioCyc
Entrez Gene (Gene ID) 11423
BindingDB P21836

  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 0.920 0.000 0.874 0.005 0.897 0.005 0.900 0.000 0.950 0.000 0.797 0.005 Download
Estate fingerprints 0.858 0.009 0.826 0.003 0.842 0.006 0.842 0.006 0.914 0.005 0.683 0.013 Download
MACCS fingerprints 0.890 0.000 0.872 0.007 0.881 0.006 0.881 0.006 0.955 0.005 0.762 0.009 Download
Daylight fingerprints 0.794 0.005 0.768 0.006 0.781 0.003 0.785 0.005 0.839 0.003 0.565 0.008 Download
ECFP2 fingerprints 0.902 0.011 0.914 0.007 0.908 0.004 0.907 0.005 0.980 0.000 0.817 0.011 Download
ECFP4 fingerprints 0.920 0.005 0.982 0.000 0.951 0.003 0.950 0.005 0.990 0.000 0.903 0.007 Download
ECFP6 fingerprints 0.886 0.012 0.994 0.007 0.940 0.007 0.937 0.008 0.991 0.006 0.887 0.014 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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