{"id":"https://openalex.org/W2992373811","doi":"https://doi.org/10.1021/acs.jcim.9b00649","title":"New Insights into the Opening of the Occluded Ligand-Binding Pocket of Sigma1 Receptor: Binding of a Novel Bivalent RC-33 Derivative","display_name":"New Insights into the Opening of the Occluded Ligand-Binding Pocket of Sigma1 Receptor: Binding of a Novel Bivalent RC-33 Derivative","publication_year":2019,"publication_date":"2019-12-06","ids":{"openalex":"https://openalex.org/W2992373811","doi":"https://doi.org/10.1021/acs.jcim.9b00649","mag":"2992373811","pmid":"https://pubmed.ncbi.nlm.nih.gov/31809025"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00649","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_indexed_in_scopus":true,"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":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"journal-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/A5068473788","display_name":"Giacomo Rossino","orcid":"https://orcid.org/0000-0002-1008-5736"},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"funder","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giacomo Rossino","raw_affiliation_strings":["Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030059414","display_name":"Ivana Orellana","orcid":null},"institutions":[{"id":"https://openalex.org/I134695357","display_name":"University of Talca","ror":"https://ror.org/01s4gpq44","country_code":"CL","type":"funder","lineage":["https://openalex.org/I134695357"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Ivana Orellana","raw_affiliation_strings":["Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile"],"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","institution_ids":["https://openalex.org/I134695357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086197164","display_name":"Julio Caballero","orcid":"https://orcid.org/0000-0003-0182-1444"},"institutions":[{"id":"https://openalex.org/I134695357","display_name":"University of Talca","ror":"https://ror.org/01s4gpq44","country_code":"CL","type":"funder","lineage":["https://openalex.org/I134695357"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Julio Caballero","raw_affiliation_strings":["Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile"],"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","institution_ids":["https://openalex.org/I134695357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015679062","display_name":"Dirk Schepmann","orcid":"https://orcid.org/0000-0002-4725-5428"},"institutions":[{"id":"https://openalex.org/I22465464","display_name":"University of M\u00fcnster","ror":"https://ror.org/00pd74e08","country_code":"DE","type":"funder","lineage":["https://openalex.org/I22465464"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Dirk Schepmann","raw_affiliation_strings":["Institute of Pharmaceutical and Medicinal Chemistry, University of Muenster, Correnstrasse 48, 48149 M\u00fcnster, Germany"],"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical and Medicinal Chemistry, University of Muenster, Correnstrasse 48, 48149 M\u00fcnster, Germany","institution_ids":["https://openalex.org/I22465464"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040260186","display_name":"Bernhard W\u00fcnsch","orcid":"https://orcid.org/0000-0002-9030-8417"},"institutions":[{"id":"https://openalex.org/I22465464","display_name":"University of M\u00fcnster","ror":"https://ror.org/00pd74e08","country_code":"DE","type":"funder","lineage":["https://openalex.org/I22465464"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Bernhard W\u00fcnsch","raw_affiliation_strings":["Institute of Pharmaceutical and Medicinal Chemistry, University of Muenster, Correnstrasse 48, 48149 M\u00fcnster, Germany"],"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical and Medicinal Chemistry, University of Muenster, Correnstrasse 48, 48149 M\u00fcnster, Germany","institution_ids":["https://openalex.org/I22465464"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079022354","display_name":"Marta Rui","orcid":null},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"funder","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marta Rui","raw_affiliation_strings":["Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052838173","display_name":"Daniela Rossi","orcid":"https://orcid.org/0000-0002-2458-3728"},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"funder","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Daniela Rossi","raw_affiliation_strings":["Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002777511","display_name":"Mariela Gonz\u00e1lez\u2010Avenda\u00f1o","orcid":null},"institutions":[{"id":"https://openalex.org/I134695357","display_name":"University of Talca","ror":"https://ror.org/01s4gpq44","country_code":"CL","type":"funder","lineage":["https://openalex.org/I134695357"]}],"countries":["CL"],"is_corresponding":false,"raw_author_name":"Mariela Gonz\u00e1lez-Avenda\u00f1o","raw_affiliation_strings":["Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile"],"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","institution_ids":["https://openalex.org/I134695357"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013533656","display_name":"Simona Collina","orcid":"https://orcid.org/0000-0002-2954-7558"},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"funder","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Simona Collina","raw_affiliation_strings":["Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Drug Sciences, University of Pavia, Viale Taramelli 12, 27100 Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008454570","display_name":"Ariela Vergara\u2010Jaque","orcid":"https://orcid.org/0000-0002-1236-013X"},"institutions":[{"id":"https://openalex.org/I134695357","display_name":"University of Talca","ror":"https://ror.org/01s4gpq44","country_code":"CL","type":"funder","lineage":["https://openalex.org/I134695357"]},{"id":"https://openalex.org/I4210118049","display_name":"Millennium Nucleus of Ion Channel Associated Diseases","ror":"https://ror.org/02bjvzs55","country_code":"CL","type":"facility","lineage":["https://openalex.org/I4210118049"]}],"countries":["CL"],"is_corresponding":true,"raw_author_name":"Ariela Vergara-Jaque","raw_affiliation_strings":["Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","Millennium Nucleus of Ion Channels-associated Diseases (MiNICAD), Santiago, Chile","Multidisciplinary Scientific Nucleus, Universidad de Talca, 1 Poniente, 1141 Talca, Chile"],"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics and Molecular Simulation, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","institution_ids":["https://openalex.org/I134695357"]},{"raw_affiliation_string":"Multidisciplinary Scientific Nucleus, Universidad de Talca, 1 Poniente, 1141 Talca, Chile","institution_ids":["https://openalex.org/I134695357"]},{"raw_affiliation_string":"Millennium Nucleus of Ion Channels-associated Diseases (MiNICAD), Santiago, Chile","institution_ids":["https://openalex.org/I4210118049"]}]}],"institution_assertions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5013533656","https://openalex.org/A5008454570"],"corresponding_institution_ids":["https://openalex.org/I25217355","https://openalex.org/I134695357","https://openalex.org/I4210118049"],"apc_list":null,"apc_paid":null,"fwci":0.575,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.652481,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":86,"max":87},"biblio":{"volume":"60","issue":"2","first_page":"756","last_page":"765"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":1.0,"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":0.9935,"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/T13454","display_name":"Phenothiazines and Benzothiazines Synthesis and Activities","score":0.988,"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":[],"concepts":[{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6417873},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.59504336},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.5717066},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4935614},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.46160287},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.43243903},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.36052382},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3492477},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18428043},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.16121575}],"mesh":[{"descriptor_ui":"D001713","descriptor_name":"Biphenyl Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001713","descriptor_name":"Biphenyl Compounds","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":"","qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010880","descriptor_name":"Piperidines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010880","descriptor_name":"Piperidines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017480","descriptor_name":"Receptors, sigma","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017480","descriptor_name":"Receptors, sigma","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001713","descriptor_name":"Biphenyl Compounds","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010880","descriptor_name":"Piperidines","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017480","descriptor_name":"Receptors, sigma","qualifier_ui":"","qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00649","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_indexed_in_scopus":true,"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":null,"is_accepted":false,"is_published":false},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31809025","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_indexed_in_scopus":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":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.63,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"grants":[{"funder":"https://openalex.org/F4320322874","funder_display_name":"Universit\u00e0 degli Studi di Pavia","award_id":null},{"funder":"https://openalex.org/F4320325593","funder_display_name":"Consejo Nacional de Innovaci\u00f3n, Ciencia y Tecnolog\u00eda","award_id":"FONDEQUIP-EQM160063"},{"funder":"https://openalex.org/F4320338073","funder_display_name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","award_id":"1170718"},{"funder":"https://openalex.org/F4320338073","funder_display_name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","award_id":"11170223"}],"datasets":[],"versions":[],"referenced_works_count":63,"referenced_works":["https://openalex.org/W1530159724","https://openalex.org/W1625910593","https://openalex.org/W1963565483","https://openalex.org/W1969145701","https://openalex.org/W1970653703","https://openalex.org/W1979046104","https://openalex.org/W1980523891","https://openalex.org/W1989195611","https://openalex.org/W1990711213","https://openalex.org/W1994224293","https://openalex.org/W2017835622","https://openalex.org/W2025169180","https://openalex.org/W2026638336","https://openalex.org/W2026692772","https://openalex.org/W2027408247","https://openalex.org/W2027616377","https://openalex.org/W2029667189","https://openalex.org/W2035687084","https://openalex.org/W2038758364","https://openalex.org/W2040526588","https://openalex.org/W2042796536","https://openalex.org/W2043901383","https://openalex.org/W2045536764","https://openalex.org/W2048350769","https://openalex.org/W2054597500","https://openalex.org/W2056760934","https://openalex.org/W2058971275","https://openalex.org/W2060070131","https://openalex.org/W2064705585","https://openalex.org/W2067216985","https://openalex.org/W2067245633","https://openalex.org/W2070753604","https://openalex.org/W2072256473","https://openalex.org/W2083237153","https://openalex.org/W2094239787","https://openalex.org/W2097902735","https://openalex.org/W2100833559","https://openalex.org/W2102743964","https://openalex.org/W2103945336","https://openalex.org/W2105668062","https://openalex.org/W2118955023","https://openalex.org/W2131087015","https://openalex.org/W2134967712","https://openalex.org/W2140151763","https://openalex.org/W2144521733","https://openalex.org/W2150981663","https://openalex.org/W2154279739","https://openalex.org/W2156780489","https://openalex.org/W2161876271","https://openalex.org/W2168779153","https://openalex.org/W2189803963","https://openalex.org/W2280037646","https://openalex.org/W2314811232","https://openalex.org/W2330799739","https://openalex.org/W2419141475","https://openalex.org/W2595791653","https://openalex.org/W2596387104","https://openalex.org/W2599923511","https://openalex.org/W2618221287","https://openalex.org/W2835938797","https://openalex.org/W2898855006","https://openalex.org/W2960659299","https://openalex.org/W4256069566"],"related_works":["https://openalex.org/W2951275810","https://openalex.org/W2733723768","https://openalex.org/W2462655579","https://openalex.org/W2337329154","https://openalex.org/W2328917962","https://openalex.org/W2097544532","https://openalex.org/W2073626691","https://openalex.org/W2025584407","https://openalex.org/W1973479917","https://openalex.org/W1570348606"],"abstract_inverted_index":{"Significant":[0],"progresses":[1],"have":[2,52,72],"been":[3,43,53,73],"made":[4],"to":[5,55,140,152,158,179,205],"understand":[6],"the":[7,11,35,57,66,80,98,104,109,130,142,147,154,162,169,175,185,200,228,236,241],"molecular":[8,136,225],"basis":[9],"of":[10,32,59,65,85,100,112,168,187,212,227,231],"Sigma1":[12],"receptor":[13],"(S1R)":[14],"operating":[15],"in":[16,28,146],"normal":[17],"and":[18,47,95,151,160,193,223],"pathological":[19],"conditions.":[20],"S1R":[21,60,86,113,148,191,217,237],"is":[22,114,121],"a":[23,29,62,194],"transmembrane":[24],"protein":[25],"that":[26,108,198,233],"participates":[27],"wide":[30],"variety":[31],"processes":[33],"at":[34],"central":[36],"nervous":[37],"system;":[38],"hence,":[39],"its":[40],"function":[41,58],"has":[42],"associated":[44,215],"with":[45,207,216,219],"mental":[46],"neurological":[48],"disorders.":[49],"Several":[50],"ligands":[51,125],"proposed":[54],"regulate":[56],"revealing":[61],"high":[63],"plasticity":[64],"ligand-binding":[67,144,171,238],"pocket.":[68],"Previous":[69],"drug-design":[70],"studies":[71],"mainly":[74],"based":[75],"on":[76],"pharmacophore":[77],"models;":[78],"however,":[79],"recently":[81],"revealed":[82],"crystal":[83,105,149],"structure":[84,106,150,203],"provides":[87],"an":[88],"excellent":[89],"opportunity":[90],"for":[91,96],"verifying":[92],"previous":[93],"predictions":[94],"evaluating":[97],"binding":[99,110,163,186,229],"novel":[101],"compounds.":[102],"Interestingly,":[103],"shows":[107],"pocket":[111,145,239],"highly":[115],"occluded":[116,143],"from":[117],"solvent;":[118],"therefore,":[119],"it":[120],"not":[122],"clear":[123],"how":[124],"access":[126,235],"this":[127],"site.":[128,164],"In":[129],"present":[131],"work,":[132],"we":[133],"applied":[134],"steered":[135],"dynamics":[137],"(SMD)":[138],"simulations":[139],"open":[141],"determine":[153],"preferred":[155],"ligand":[156],"pathway":[157],"enter":[159],"exit":[161],"The":[165],"intracellular":[166],"surface":[167],"\u03b2-barrel":[170],"region":[172],"was":[173],"found":[174],"most":[176],"favorable":[177],"route":[178,183],"accommodate":[180],"ligands.":[181],"This":[182],"supports":[184],"RC-33":[188],"(our":[189],"in-house-developed":[190],"modulator)":[192],"new":[195],"bivalent":[196],"derivative":[197],"constitutes":[199],"first":[201],"divalent":[202],"shown":[204],"interact":[206],"S1R.":[208],"Free":[209],"energy":[210],"calculations":[211],"these":[213],"compounds":[214],"agree":[218],"experimental":[220],"Ki":[221],"values":[222],"provide":[224],"insights":[226],"mode":[230],"modulators":[232],"could":[234],"through":[240],"cytoplasmic":[242],"region.":[243]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2992373811","counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":2}],"updated_date":"2025-04-26T03:36:17.061298","created_date":"2019-12-13"}