{"id":"https://openalex.org/W2037749168","doi":"https://doi.org/10.1021/ci5001373","title":"Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules","display_name":"Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules","publication_year":2014,"publication_date":"2014-07-07","ids":{"openalex":"https://openalex.org/W2037749168","doi":"https://doi.org/10.1021/ci5001373","mag":"2037749168","pmid":"https://pubmed.ncbi.nlm.nih.gov/25000969"},"language":"en","primary_location":{"id":"doi:10.1021/ci5001373","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci5001373","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035587835","display_name":"Peter Schmidtke","orcid":"https://orcid.org/0000-0003-3172-3669"},"institutions":[{"id":"https://openalex.org/I4210135308","display_name":"Servier (France)","ror":"https://ror.org/034e7c066","country_code":"FR","type":"company","lineage":["https://openalex.org/I4210135308"]},{"id":"https://openalex.org/I84909340","display_name":"Institut des Hautes \u00c9tudes Scientifiques","ror":"https://ror.org/05d5m2r55","country_code":"FR","type":"facility","lineage":["https://openalex.org/I84909340"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Peter Schmidtke","raw_affiliation_strings":["Discngine, 33 Rue du Faubourg Saint-Antoine, 75011 Paris, France","Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","Discngine, 33 Rue du Faubourg Saint-Antoine, 75011 Paris, France; Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Discngine, 33 Rue du Faubourg Saint-Antoine, 75011 Paris, France","institution_ids":[]},{"raw_affiliation_string":"Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","institution_ids":["https://openalex.org/I84909340","https://openalex.org/I4210135308"]},{"raw_affiliation_string":"Discngine, 33 Rue du Faubourg Saint-Antoine, 75011 Paris, France; Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","institution_ids":["https://openalex.org/I4210135308"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072837300","display_name":"Marine Ciantar","orcid":null},"institutions":[{"id":"https://openalex.org/I4210135308","display_name":"Servier (France)","ror":"https://ror.org/034e7c066","country_code":"FR","type":"company","lineage":["https://openalex.org/I4210135308"]},{"id":"https://openalex.org/I84909340","display_name":"Institut des Hautes \u00c9tudes Scientifiques","ror":"https://ror.org/05d5m2r55","country_code":"FR","type":"facility","lineage":["https://openalex.org/I84909340"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Marine Ciantar","raw_affiliation_strings":["Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","institution_ids":["https://openalex.org/I84909340","https://openalex.org/I4210135308"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023050947","display_name":"Isabelle Th\u00e9ret","orcid":"https://orcid.org/0000-0003-1283-5091"},"institutions":[{"id":"https://openalex.org/I4210135308","display_name":"Servier (France)","ror":"https://ror.org/034e7c066","country_code":"FR","type":"company","lineage":["https://openalex.org/I4210135308"]},{"id":"https://openalex.org/I84909340","display_name":"Institut des Hautes \u00c9tudes Scientifiques","ror":"https://ror.org/05d5m2r55","country_code":"FR","type":"facility","lineage":["https://openalex.org/I84909340"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Isabelle Theret","raw_affiliation_strings":["Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","institution_ids":["https://openalex.org/I84909340","https://openalex.org/I4210135308"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057496649","display_name":"Pierre Ducrot","orcid":"https://orcid.org/0000-0002-9868-5962"},"institutions":[{"id":"https://openalex.org/I4210135308","display_name":"Servier (France)","ror":"https://ror.org/034e7c066","country_code":"FR","type":"company","lineage":["https://openalex.org/I4210135308"]},{"id":"https://openalex.org/I84909340","display_name":"Institut des Hautes \u00c9tudes Scientifiques","ror":"https://ror.org/05d5m2r55","country_code":"FR","type":"facility","lineage":["https://openalex.org/I84909340"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Pierre Ducrot","raw_affiliation_strings":["Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Recherches Servier, 125 Chemin de Ronde, 87290 Croissy-sur-Seine, France","institution_ids":["https://openalex.org/I84909340","https://openalex.org/I4210135308"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.2105,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.81175033,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"54","issue":"8","first_page":"2320","last_page":"2333"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10217","display_name":"Cardiac electrophysiology and arrhythmias","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10217","display_name":"Cardiac electrophysiology and arrhythmias","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10493","display_name":"Ion channel regulation and function","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9929999709129333,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/herg","display_name":"hERG","score":0.9947702884674072},{"id":"https://openalex.org/keywords/repolarization","display_name":"Repolarization","score":0.5046418905258179},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.484341025352478},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.42286720871925354},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3886599540710449},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3879586458206177},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.30347734689712524},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2565605044364929},{"id":"https://openalex.org/keywords/electrophysiology","display_name":"Electrophysiology","score":0.21525970101356506},{"id":"https://openalex.org/keywords/potassium-channel","display_name":"Potassium channel","score":0.19575828313827515},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.19171369075775146},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.17393019795417786},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.14606595039367676}],"concepts":[{"id":"https://openalex.org/C2779362680","wikidata":"https://www.wikidata.org/wiki/Q905000","display_name":"hERG","level":3,"score":0.9947702884674072},{"id":"https://openalex.org/C146403970","wikidata":"https://www.wikidata.org/wiki/Q205729","display_name":"Repolarization","level":3,"score":0.5046418905258179},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.484341025352478},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.42286720871925354},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3886599540710449},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3879586458206177},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.30347734689712524},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2565605044364929},{"id":"https://openalex.org/C185263204","wikidata":"https://www.wikidata.org/wiki/Q1154774","display_name":"Electrophysiology","level":2,"score":0.21525970101356506},{"id":"https://openalex.org/C83743174","wikidata":"https://www.wikidata.org/wiki/Q423778","display_name":"Potassium channel","level":2,"score":0.19575828313827515},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19171369075775146},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.17393019795417786},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14606595039367676}],"mesh":[{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072237","descriptor_name":"ERG1 Potassium Channel","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004305","descriptor_name":"Dose-Response Relationship, Drug","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004305","descriptor_name":"Dose-Response Relationship, Drug","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004305","descriptor_name":"Dose-Response Relationship, Drug","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010627","descriptor_name":"Phenethylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011993","descriptor_name":"Recombinant Fusion Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011993","descriptor_name":"Recombinant Fusion Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011993","descriptor_name":"Recombinant Fusion Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D026902","descriptor_name":"Potassium Channel Blockers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051663","descriptor_name":"Kv1.2 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051663","descriptor_name":"Kv1.2 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051663","descriptor_name":"Kv1.2 Potassium Channel","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051669","descriptor_name":"Shab Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051669","descriptor_name":"Shab Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051669","descriptor_name":"Shab Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057809","descriptor_name":"HEK293 Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057809","descriptor_name":"HEK293 Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057809","descriptor_name":"HEK293 Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci5001373","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci5001373","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:25000969","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25000969","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.8199999928474426,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1969129798","https://openalex.org/W1975691556","https://openalex.org/W1976499671","https://openalex.org/W1979970332","https://openalex.org/W1981008233","https://openalex.org/W1981339949","https://openalex.org/W1984404348","https://openalex.org/W1985912434","https://openalex.org/W1987161922","https://openalex.org/W1991739064","https://openalex.org/W1999095775","https://openalex.org/W2000702472","https://openalex.org/W2000941600","https://openalex.org/W2006964534","https://openalex.org/W2009422836","https://openalex.org/W2009423060","https://openalex.org/W2019892409","https://openalex.org/W2021049589","https://openalex.org/W2025538419","https://openalex.org/W2027408247","https://openalex.org/W2029667189","https://openalex.org/W2035001688","https://openalex.org/W2042110087","https://openalex.org/W2045103635","https://openalex.org/W2046154655","https://openalex.org/W2050333027","https://openalex.org/W2054525948","https://openalex.org/W2055522494","https://openalex.org/W2057406399","https://openalex.org/W2059231937","https://openalex.org/W2067174909","https://openalex.org/W2070624290","https://openalex.org/W2074881260","https://openalex.org/W2077082977","https://openalex.org/W2077684756","https://openalex.org/W2079604571","https://openalex.org/W2082143829","https://openalex.org/W2083809358","https://openalex.org/W2094879588","https://openalex.org/W2107763854","https://openalex.org/W2118212514","https://openalex.org/W2125326683","https://openalex.org/W2130566541","https://openalex.org/W2131308754","https://openalex.org/W2131946958","https://openalex.org/W2132267388","https://openalex.org/W2134670392","https://openalex.org/W2150981663","https://openalex.org/W2152195928","https://openalex.org/W2152374518","https://openalex.org/W2155283661","https://openalex.org/W2158076215","https://openalex.org/W2160907977","https://openalex.org/W2161605421","https://openalex.org/W2164311861","https://openalex.org/W2165940495","https://openalex.org/W2168991996"],"related_works":["https://openalex.org/W4226325645","https://openalex.org/W4283653858","https://openalex.org/W2270146699","https://openalex.org/W2040918531","https://openalex.org/W1987359194","https://openalex.org/W2013003323","https://openalex.org/W1981076832","https://openalex.org/W2024773645","https://openalex.org/W2001717001","https://openalex.org/W2043147644"],"abstract_inverted_index":{"Today,":[0],"drug":[1],"discovery":[2],"routinely":[3],"uses":[4],"experimental":[5],"assays":[6],"to":[7,68,98,116],"determine":[8],"very":[9],"early":[10],"if":[11],"a":[12,32],"lead":[13],"compound":[14],"can":[15,42],"yield":[16],"certain":[17],"types":[18],"of":[19,81,131],"off-target":[20],"activity.":[21,72],"Among":[22],"such":[23],"off":[24],"targets":[25],"is":[26,59,127],"hERG.":[27],"The":[28],"ion":[29],"channel":[30,83],"plays":[31],"primordial":[33],"role":[34],"in":[35,129],"membrane":[36],"repolarization":[37],"and":[38,47,65,96,118],"altering":[39],"its":[40],"activity":[41],"cause":[43],"severe":[44],"heart":[45],"arrhythmia":[46],"sudden":[48],"death.":[49],"Despite":[50],"routine":[51],"tests":[52],"for":[53,61,123],"hERG":[54,71,82,99,110,135],"activity,":[55],"rather":[56],"little":[57],"information":[58],"available":[60],"helping":[62],"medicinal":[63],"chemists":[64],"molecular":[66],"modelers":[67],"rationally":[69],"circumvent":[70],"In":[73],"this":[74],"article":[75],"novel":[76,107],"insights":[77,108],"into":[78],"the":[79],"dynamics":[80,106],"closure":[84,90],"are":[85,101,113],"described.":[86],"Notably,":[87],"helical":[88],"pairwise":[89],"movements":[91],"have":[92],"been":[93],"observed.":[94],"Implications":[95],"relations":[97],"inactivation":[100],"presented.":[102],"Based":[103],"on":[104,109,134],"these":[105],"blocker":[111],"placement":[112],"presented,":[114],"compared":[115],"literature,":[117],"discussed.":[119],"Last,":[120],"new":[121],"evidence":[122],"horizontal":[124],"ligand":[125],"positioning":[126],"shown":[128],"light":[130],"former":[132],"studies":[133],"blockers.":[136]},"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":3},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":4}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
