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Life Science Database Archive
PoSSuM

(Drug Search)Target ligand list

Data detail

info Data name (Drug Search)Target ligand list
info DOI 
info Description of data contents 

The list of target sites and binding ligands

info Data file 
File name:
possum_target_ligand.zip
File URL:
https://dbarchive.biosciencedbc.jp/data/possum/LATEST/possum_target_ligand.zip
File size:
792 KB
info Simple search URL 
info Data acquisition method 

ChEMBL

info Data analysis method -
info Number of data entries 

27,326 entries

Data itemDescription
HET_Code HET Code for the ligand
SimilarPockets Internal id of site binding the ligand
JaccardIndex(MACCS) Jaccard Index between ligand and target site (with MACCS)
JaccardIndex(FP2) Jaccard Index between ligand and target site (with FP2)
InChi_Key InChIKey of binding molocular
CanonicalSmiles Canonical SMILES of binding molocular