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Life Science Database Archive
PoSSuM

(Drug Search)Ligand list

Data detail

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

Ligand list for Drug Search extracted from ChEMBL

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

ChEMBL

info Data analysis method -
info Number of data entries 

194 entries

Data itemDescription
ID Internal ID for this ligand
HET_Code HET Code
Link Link to tables in Drug Search (only in simple search)
ChEMBL_ID ChEMBL ID
PrefName Preferred name
HeavyAtoms Number of heavy atoms
FullMWT Full molocular weight
Alogp Value of ALogP
HBA Number of H-bond acceptors
HBD Number of H-bond donors
RotatableBonds Number of ratatable bonds
PSA Polar surface area
ATC_Level1 Classification in ATC level1
ATC_Level2 Classification in ATC level2
ATC_Level3 Classification in ATC level3
ATC_Level4 Classification in ATC level4