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About This Database

(Drug Search)Target ligand list

Data description
Data name
(Drug Search)Target ligand list
DOI
10.18908/lsdba.nbdc01144-008
Description of data contents
The list of target sites and binding ligands
Data file
File name :
possum_target_ligand.zip
File URL :
File size :
792 KB
Simple search URL
https://togodb.biosciencedbc.jp/togodb/view/possum_target_ligand#en
Data acquisition method

ChEMBL

Data analysis method

-

Number of data entries

27,326 entries

Data detail
Data item Description
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