To access any of the downloads listed below, please contact support@eyesopen.com. Please list the required databases and include your OpenEye license file.
Please note the above two 3.0 files provide exactly the same BROOD database. The .zip format is more suitable for Windows users.
Please note these databases are generated with OMEGA 3.0.0. To access the Namiki databases please contact support_jp@eyesopen.com. These databases are provided for our Japanese customers only.
Fragments collated from commonly used electronic databases, such as Enamine Building Blocks
omega_fragment_lib_2020.oeb.gz
Available ready-to-search SiteHopper patch databases for rapid comparison of protein binding sites.
Databases of~40,000 protein-ligand binding sites, or ~300,000 potential protein binding sites, the latter identified via OEPocket and F-Pocket 4.0 The datasets were generated using ~40,000 prepared design units from roughly 21,000 PDB files.
Database of SiteHopper patches based on AlphaFold2v1 structures downloaded on 10/19/2021. We utilized F-pocket and OEPocket to detect potential binding pockets. The pockets were filtered to satisfy a requirement that all residues in the identified pocket were considered a high quality prediction (prediction value in B-factor column = 100). The database contains ~106,000 patches of potential binding sites.
AlphaFold2v1-Human-20211019_Alternate_Sites_Patch_DB_OEv1.0.shdb (67 GB)
Spruce Loop Template Database
rcsb_spruce_1_0_20200422.loop_db