LigandBox: Download Molecular Data

[Go to Japanese page] [Back to top page]

We distribute our molecular data by DVDs. For requesting the DVDs, contact to Yoshifumi Fukunishi (AIST).


Property file

Containing properties for all the molecules in the tab-delimited format

[DOWNLOAD THE PROPERTY_FILE(gzipped):614.9 MB]

[DOWNLOAD THE PROPERTY_FILE:2299.2 MB]


Single Conformer

Containing one conformer (*-01.mol2) for each compound.

SupplierFile size
Namiki1610.mol2.gz8068.8 MB
Kishida2016.mol2.gz4786.9 MB
PDB_LIGAND.mol2.gz18.0 MB
KEGG_COMPOUND.mol2.gz17.1 MB
KEGG_DRUG.mol2.gz8.5 MB


Multiple Conformer

Containing multiple conformer (*-01.mol2, *-02.mol2, *-03.mol2,..) for each compound.

SupplierFile size
Namiki1610.mol2.gz8483.3 MB
Kishida2016.mol2.gz6390.9 MB
PDB_LIGAND.mol2.gz56.1 MB
KEGG_COMPOUND.mol2.gz52.4 MB
KEGG_DRUG.mol2.gz18.5 MB


Comments and Questions to:
LigandBox database version : '201610_2'
[Back to top page]

LastModified: 20170927