January 13, 2026 Dataset Open Access

Gutermuth, Torben; Ehmki, Emanuel S.R.; Flachsenberg, Florian; Penner, Patrick; Hönig, Sophia M.N.; Harren, Tobias; Rarey, Matthias

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parsed data of LigandExtactor<br>\nparsed_structuere_data.csv - parsed data of StructureProfiler<br>\nparsed_activity_data_raw.csv - parsed activity data of ActivityFinder (activity mode)<br>\nactive_site_data.csv - parsed active site mutation data of ActivityFinder (activity mode)<br>\nparsed_activity_data_raw_enriched.csv - parsed activity data of ActivityFinder with additional annotated data (activtiy mode)<br>\nfiltered_activites.csv - filtered version of parsed_activity_data_raw_enriched (activity mode)<br>\nchembl_target_dict_activities.json - json of all chembl targets for each entry (activity mode)<br>\nrefined_active_site_data.json - refined active site data for each entry (activity mode)<br>\ndiscarded_target_data_automated_activities.csv - target filtering cascade results (activity mode)<br>\nparsed_target_data_raw - parsed activity data of ActivityFinder (target mode)<br>\nparsed_target_data_enriched_raw.csv - parsed activity data of ActivityFinder with additional annotated data (target mode)<br>\nparsed_target_data_filtered.csv - filtered version of parsed_target_data_enriched_raw (target mode)<br>\nStrAcTable.csv - merge of ligand data, structure data and enriched activity data (activity mode)<br>\nStrAcTable_filtered.csv - merge of ligand data, structure data and filtered activity data (activity mode)<br>\nStrAcTableT.csv - merge of ligand data, structure data and enriched activity data (target mode)<br>\nStrAcTableT_filtered.csv - merge of ligand data, structure data and filtered activity data (target mode)<br>\nStrAcTable_comments.json - csvw explanation for all columns in StrAcTable<br>\nSunburst_plot_pdb.html - sunburst plot of the target hierarchy for all pdb entries in StrAcTable</p>\n\n<p>For further details please consult the publication.</p>","distribution":[{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/active_site_data.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/chembl_target_dict_activities.json","encodingFormat":"json"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/chembl_target_dict_targetmode.json","encodingFormat":"json"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/discarded_target_data_automated_activities.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/discarded_target_data_automated_targets.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/filtered_activities.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_activity_data_raw.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_activity_data_raw_enriched.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_ligand_data.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_structure_data.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_target_data_enriched_raw.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_target_data_filtered.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/parsed_target_data_raw.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/refined_active_site_data.json","encodingFormat":"json"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/StrAcTable_comments.json","encodingFormat":"json"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/StrAcTable.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/StrAcTable_filtered.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/StrAcTableT.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/StrAcTableT_filtered.csv","encodingFormat":"csv"},{"@type":"DataDownload","contentUrl":"https://www.fdr.uni-hamburg.de/api/files/273d3f16-3f9d-44e5-ae91-25e5fb3f1b27/sunburst_plot_pdb.html","encodingFormat":"html"}],"identifier":"http://doi.org/10.25592/uhhfdm.18244","keywords":["Dataset, Bioactivities, ChEMBL, PDB"],"license":"https://creativecommons.org/licenses/by-nc-sa/3.0/legalcode","name":"Supporting Information for the StrAcTable publication","url":"https://www.fdr.uni-hamburg.de/record/18244","version":"1.0.0"}