{"id":"https://openalex.org/W2010714619","doi":"https://doi.org/10.1007/s10822-014-9731-5","title":"Structure-guided optimization of small molecule c-Abl activators","display_name":"Structure-guided optimization of small molecule c-Abl activators","publication_year":2014,"publication_date":"2014-02-01","ids":{"openalex":"https://openalex.org/W2010714619","doi":"https://doi.org/10.1007/s10822-014-9731-5","mag":"2010714619","pmid":"https://pubmed.ncbi.nlm.nih.gov/24573412"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-014-9731-5","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-014-9731-5","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-014-9731-5.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s10822-014-9731-5.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103163095","display_name":"Xuan Hong","orcid":"https://orcid.org/0009-0001-8987-8746"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":true,"raw_author_name":"Xuan Hong","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA, xuan.2.hong@gsk.com","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA, xuan.2.hong@gsk.com","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100699533","display_name":"Ping Cao","orcid":"https://orcid.org/0000-0002-3049-7084"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Ping Cao","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021905833","display_name":"Yoshiaki Washio","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Yoshiaki Washio","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056311566","display_name":"Graham L. Simpson","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Graham Simpson","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050234899","display_name":"Nino Campobasso","orcid":"https://orcid.org/0000-0003-3419-2840"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Nino Campobasso","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113656936","display_name":"Jingsong Yang","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Jingsong Yang","raw_affiliation_strings":["Oncology Research and Development, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Oncology Research and Development, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jennifer Borthwick","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Jennifer Borthwick","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112797026","display_name":"George Burton","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"George Burton","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057577667","display_name":"Julien Chabanet","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Julien Chabanet","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066959055","display_name":"Sophie M. Bertrand","orcid":"https://orcid.org/0000-0002-7159-1157"},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Sophie Bertrand","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029794573","display_name":"Helen L. Evans","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Helen Evans","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051609892","display_name":"Robert J. Young","orcid":"https://orcid.org/0000-0002-7763-0575"},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["GB","NL"],"is_corresponding":false,"raw_author_name":"Robert J. Young","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Stevenage, UK","institution_ids":["https://openalex.org/I188950975"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059943780","display_name":"Junya Qu","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Junya Qu","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100444615","display_name":"Hu Li","orcid":"https://orcid.org/0000-0003-3604-9271"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Hu Li","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069464203","display_name":"Josh Cottom","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Josh Cottom","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003893325","display_name":"Paris Ward","orcid":"https://orcid.org/0000-0002-6253-0379"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Paris Ward","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100430306","display_name":"Hong Zhang","orcid":"https://orcid.org/0000-0002-6191-0046"},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Hong Zhang","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064366802","display_name":"Thau Ho","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Thau Ho","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044319507","display_name":"Donghui Qin","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Donghui Qin","raw_affiliation_strings":["Virtual Proof of Concept Discovery Performance Unit, GlaxoSmithKline, King of Prussia, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Virtual Proof of Concept Discovery Performance Unit, GlaxoSmithKline, King of Prussia, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103889247","display_name":"Siegfried B. Christensen","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Siegfried Christensen","raw_affiliation_strings":["Virtual Proof of Concept Discovery Performance Unit, GlaxoSmithKline, King of Prussia, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Virtual Proof of Concept Discovery Performance Unit, GlaxoSmithKline, King of Prussia, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063445354","display_name":"Martha S. Head","orcid":null},"institutions":[{"id":"https://openalex.org/I4210114143","display_name":"GlaxoSmithKline (United States)","ror":"https://ror.org/025vn3989","country_code":"US","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210114143"]},{"id":"https://openalex.org/I4210156610","display_name":"GlaxoSmithKline (Netherlands)","ror":"https://ror.org/05atcw115","country_code":"NL","type":"company","lineage":["https://openalex.org/I188950975","https://openalex.org/I4210156610"]}],"countries":["NL","US"],"is_corresponding":false,"raw_author_name":"Martha S. Head","raw_affiliation_strings":["Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","GlaxoSmithKline"],"affiliations":[{"raw_affiliation_string":"Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA","institution_ids":["https://openalex.org/I4210114143"]},{"raw_affiliation_string":"GlaxoSmithKline","institution_ids":["https://openalex.org/I4210156610"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":21,"corresponding_author_ids":["https://openalex.org/A5103163095"],"corresponding_institution_ids":["https://openalex.org/I4210114143","https://openalex.org/I4210156610"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":{"value":2890,"currency":"EUR","value_usd":3690},"fwci":0.3875,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.6256975,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"28","issue":"2","first_page":"75","last_page":"87"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11215","display_name":"Chronic Myeloid Leukemia Treatments","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"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/T11215","display_name":"Chronic Myeloid Leukemia Treatments","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"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/T12318","display_name":"Quinazolinone synthesis and applications","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11533","display_name":"Melanoma and MAPK Pathways","score":0.9973000288009644,"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/abl","display_name":"ABL","score":0.7190854549407959},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.6048514246940613},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5887210369110107},{"id":"https://openalex.org/keywords/myristoylation","display_name":"Myristoylation","score":0.54183030128479},{"id":"https://openalex.org/keywords/helix","display_name":"Helix (gastropod)","score":0.5181416273117065},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.47949105501174927},{"id":"https://openalex.org/keywords/protein-kinase-domain","display_name":"Protein kinase domain","score":0.4750271439552307},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4712263345718384},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.4608122706413269},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.37234359979629517},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2370011806488037},{"id":"https://openalex.org/keywords/signal-transduction","display_name":"Signal transduction","score":0.20054972171783447},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18368396162986755},{"id":"https://openalex.org/keywords/phosphorylation","display_name":"Phosphorylation","score":0.18158340454101562},{"id":"https://openalex.org/keywords/tyrosine-kinase","display_name":"Tyrosine kinase","score":0.07533743977546692}],"concepts":[{"id":"https://openalex.org/C125418893","wikidata":"https://www.wikidata.org/wiki/Q587961","display_name":"ABL","level":4,"score":0.7190854549407959},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.6048514246940613},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5887210369110107},{"id":"https://openalex.org/C77207865","wikidata":"https://www.wikidata.org/wiki/Q25794","display_name":"Myristoylation","level":3,"score":0.54183030128479},{"id":"https://openalex.org/C2778530040","wikidata":"https://www.wikidata.org/wiki/Q1937315","display_name":"Helix (gastropod)","level":3,"score":0.5181416273117065},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.47949105501174927},{"id":"https://openalex.org/C32619005","wikidata":"https://www.wikidata.org/wiki/Q24768234","display_name":"Protein kinase domain","level":4,"score":0.4750271439552307},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4712263345718384},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.4608122706413269},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.37234359979629517},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2370011806488037},{"id":"https://openalex.org/C62478195","wikidata":"https://www.wikidata.org/wiki/Q828130","display_name":"Signal transduction","level":2,"score":0.20054972171783447},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18368396162986755},{"id":"https://openalex.org/C11960822","wikidata":"https://www.wikidata.org/wiki/Q242736","display_name":"Phosphorylation","level":2,"score":0.18158340454101562},{"id":"https://openalex.org/C42362537","wikidata":"https://www.wikidata.org/wiki/Q87099740","display_name":"Tyrosine kinase","level":3,"score":0.07533743977546692},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.0},{"id":"https://openalex.org/C2779965526","wikidata":"https://www.wikidata.org/wiki/Q308841","display_name":"Snail","level":2,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011720","descriptor_name":"Pyrazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011720","descriptor_name":"Pyrazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011720","descriptor_name":"Pyrazoles","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":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016315","descriptor_name":"Proto-Oncogene Proteins c-abl","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1007/s10822-014-9731-5","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-014-9731-5","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-014-9731-5.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:24573412","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24573412","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 computer-aided molecular design","raw_type":null},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.796.8619","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.796.8619","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/40/41/10822_2014_Article_9731.PMC3949015.pdf","raw_type":"text"},{"id":"pmh:oai:europepmc.org:2940144","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3949015","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-014-9731-5","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-014-9731-5","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-014-9731-5.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2010714619.pdf","grobid_xml":"https://content.openalex.org/works/W2010714619.grobid-xml"},"referenced_works_count":30,"referenced_works":["https://openalex.org/W790358","https://openalex.org/W1779286308","https://openalex.org/W1971809076","https://openalex.org/W1972765844","https://openalex.org/W1988642004","https://openalex.org/W2001954506","https://openalex.org/W2003973314","https://openalex.org/W2006467763","https://openalex.org/W2010392945","https://openalex.org/W2016086822","https://openalex.org/W2021497478","https://openalex.org/W2051352904","https://openalex.org/W2055704927","https://openalex.org/W2057033539","https://openalex.org/W2059499441","https://openalex.org/W2062195188","https://openalex.org/W2062366098","https://openalex.org/W2063511018","https://openalex.org/W2064514012","https://openalex.org/W2115093096","https://openalex.org/W2115363065","https://openalex.org/W2119847916","https://openalex.org/W2137601120","https://openalex.org/W2147549467","https://openalex.org/W2159765576","https://openalex.org/W2161835431","https://openalex.org/W2164242115","https://openalex.org/W2168747115","https://openalex.org/W2169794689","https://openalex.org/W2409899642"],"related_works":["https://openalex.org/W4254976913","https://openalex.org/W2610233264","https://openalex.org/W2023569481","https://openalex.org/W2014249275","https://openalex.org/W4361262350","https://openalex.org/W2004052174","https://openalex.org/W2131174104","https://openalex.org/W1999595654","https://openalex.org/W2619226366","https://openalex.org/W2010714619"],"abstract_inverted_index":{"c-Abl":[0,30,35,43,90,102,110,126],"kinase":[1,31],"is":[2,56],"maintained":[3],"in":[4,9],"its":[5,131],"normal":[6],"inactive":[7],"state":[8],"the":[10,25,29,47,59,62,73,83,99,122],"cell":[11],"through":[12],"an":[13],"assembled,":[14],"compact":[15],"conformation.":[16],"We":[17,37],"describe":[18],"two":[19,93],"chemical":[20,94],"series":[21,95],"that":[22,39,55],"bind":[23],"to":[24,72,98,120],"myristoyl":[26],"site":[27],"of":[28,61,76,85,89,91,101,125,130],"domain":[32],"and":[33,87,96,127],"stimulate":[34],"activation.":[36,132],"hypothesize":[38],"these":[40,92],"molecules":[41],"activate":[42],"either":[44],"by":[45,66],"blocking":[46],"C-terminal":[48],"helix":[49],"from":[50],"adopting":[51],"a":[52],"bent":[53,74],"conformation":[54,64,75],"critical":[57],"for":[58],"formation":[60],"autoinhibited":[63],"or":[65],"simply":[67],"providing":[68],"no":[69],"stabilizing":[70],"interactions":[71],"this":[77],"helix.":[78],"Structure-based":[79],"molecular":[80,118],"modeling":[81],"guided":[82],"optimization":[84],"binding":[86],"activation":[88],"led":[97],"discovery":[100],"activators":[103,111],"with":[104],"nanomolar":[105],"potency.":[106],"The":[107],"small":[108],"molecule":[109],"reported":[112],"herein":[113],"could":[114],"be":[115],"used":[116],"as":[117],"tools":[119],"investigate":[121],"biological":[123],"functions":[124],"therapeutic":[128],"implications":[129]},"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}