{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T12:40:30Z","timestamp":1767962430710,"version":"3.49.0"},"reference-count":48,"publisher":"American Chemical Society (ACS)","issue":"22","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Am. Chem. Soc."],"published-print":{"date-parts":[[2013,6,5]]},"DOI":"10.1021\/ja311756u","type":"journal-article","created":{"date-parts":[[2013,5,16]],"date-time":"2013-05-16T17:14:59Z","timestamp":1368724499000},"page":"8227-8237","source":"Crossref","is-referenced-by-count":37,"title":["Discovery of Picomolar ABL Kinase Inhibitors Equipotent for Wild Type and T315I Mutant via Structure-Based de Novo Design"],"prefix":"10.1021","volume":"135","author":[{"given":"Hwangseo","family":"Park","sequence":"first","affiliation":[{"name":"Department of Bioscience and\rBiotechnology, Sejong University, Seoul\r143-747, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Seunghee","family":"Hong","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 305-701, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jinhee","family":"Kim","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 305-701, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sungwoo","family":"Hong","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 305-701, Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2013,5,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1619","DOI":"10.1182\/blood-2008-03-144790","volume":"113","author":"Quintas-Cardama A.","year":"2009","journal-title":"Blood"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1016\/j.ceb.2009.01.014","volume":"21","author":"Eck M. J.","year":"2009","journal-title":"Curr. Opin.Cell Biol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/med.20175","volume":"31","author":"Schenone S.","year":"2010","journal-title":"Med. Res. Rev."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1038\/nrd839","volume":"1","author":"Capdeville R.","year":"2002","journal-title":"Nat. Rev. Drug Discov."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"2242","DOI":"10.1182\/blood-2007-03-066936","volume":"110","author":"O\u2019Hare T.","year":"2007","journal-title":"Blood"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"834","DOI":"10.1038\/nrd2324","volume":"6","author":"Quintas-Cardama A.","year":"2007","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"6658","DOI":"10.1021\/jm049486a","volume":"47","author":"Lombardo L. J.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/j.ccr.2005.01.007","volume":"7","author":"Weisberg E.","year":"2005","journal-title":"Cancer Cell"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"3948","DOI":"10.1182\/blood-2005-06-2209","volume":"106","author":"Kimura S.","year":"2005","journal-title":"Blood"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"3965","DOI":"10.1021\/jm0102250","volume":"44","author":"Boschelli D. H.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1111\/j.1747-0285.2007.00556.x","volume":"70","author":"Zhou T.","year":"2007","journal-title":"Chem. Biol. Drug Des."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"500","DOI":"10.1182\/blood-2006-05-025049","volume":"109","author":"Giles F. J.","year":"2007","journal-title":"Blood"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"4355","DOI":"10.1182\/blood-2007-09-113175","volume":"111","author":"Gontarewicz A.","year":"2008","journal-title":"Blood"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1021\/jm800984v","volume":"52","author":"Howard S.","year":"2009","journal-title":"J. Med. Chem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"1607","DOI":"10.1182\/blood-2009-01-199307","volume":"114","author":"Shiotsu Y.","year":"2009","journal-title":"Blood"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"4392","DOI":"10.1158\/1078-0432.CCR-08-0117","volume":"14","author":"Quintas-Cardama A.","year":"2008","journal-title":"Clin. Cancer Res."},{"key":"ref17\/cit17a","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1007\/s10822-012-9593-7","volume":"26","author":"Park H.","year":"2012","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref17\/cit17b","doi-asserted-by":"crossref","first-page":"5439","DOI":"10.1021\/jm901808w","volume":"53","author":"Choi H. G.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17c","doi-asserted-by":"crossref","first-page":"4701","DOI":"10.1021\/jm100395q","volume":"53","author":"Huang W. S.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17d","doi-asserted-by":"crossref","first-page":"3743","DOI":"10.1016\/j.bmcl.2011.04.060","volume":"21","author":"Thomas M.","year":"2011","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref17\/cit17e","doi-asserted-by":"crossref","first-page":"4196","DOI":"10.1016\/j.bmcl.2010.05.043","volume":"20","author":"Deng X.","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref17\/cit17f","doi-asserted-by":"crossref","first-page":"5812","DOI":"10.1016\/j.bmcl.2007.08.043","volume":"17","author":"Cao J.","year":"2007","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref18\/cit18a","doi-asserted-by":"crossref","first-page":"1267","DOI":"10.1038\/sj.leu.2403775","volume":"19","author":"Gambacorti-Passerini C.","year":"2005","journal-title":"Leukemia"},{"key":"ref18\/cit18b","doi-asserted-by":"crossref","first-page":"6964","DOI":"10.1016\/j.bmcl.2011.09.127","volume":"21","author":"L\u00fc S.","year":"2011","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref18\/cit18c","doi-asserted-by":"crossref","first-page":"1965","DOI":"10.1016\/j.bmcl.2011.02.029","volume":"21","author":"Wang D.","year":"2011","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1002\/cmdc.201100410","volume":"7","author":"Park H.","year":"2012","journal-title":"ChemMedChem"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"5912","DOI":"10.1021\/jm050362n","volume":"49","author":"Warren G. L.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1002\/(SICI)1097-0134(19990101)34:1<4::AID-PROT2>3.0.CO;2-6","volume":"34","author":"Shoichet B. K.","year":"1999","journal-title":"Proteins"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"5790","DOI":"10.1158\/0008-5472.CAN-05-4187","volume":"66","author":"Tokarski J. S.","year":"2006","journal-title":"Cancer Res."},{"key":"ref23\/cit23","volume-title":"An Introduction to Hydrogen Bonding","author":"Jeffrey G. A.","year":"1997"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1007\/s0089400060498","volume":"6","author":"Wang R.","year":"2000","journal-title":"J. Mol. Model."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1007\/s008940050096","volume":"6","author":"Wang R.","year":"1998","journal-title":"J. Mol. Model."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","volume":"23","author":"Lipinski C. A.","year":"1997","journal-title":"Adv. Drug Delivery Rev."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","volume":"19","author":"Morris G. M.","year":"1998","journal-title":"J. Comput. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"021916","DOI":"10.1103\/PhysRevE.75.021916","volume":"75","author":"Park H.","year":"2007","journal-title":"Phys. Rev. E"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"3219","DOI":"10.1016\/0040-4020(80)80168-2","volume":"36","author":"Gasteiger J.","year":"1980","journal-title":"Tetrahedron"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1080\/08927029308022161","volume":"10","author":"Stouten P. F. W.","year":"1993","journal-title":"Mol. Simul."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1186\/1758-2946-5-8","volume":"5","author":"Choi H.","year":"2013","journal-title":"J. Cheminformatics"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"2986","DOI":"10.1021\/ci200378s","volume":"51","author":"Park H.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"1668","DOI":"10.1002\/jcc.20290","volume":"26","author":"Case D. A.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"8070","DOI":"10.1021\/jp9717655","volume":"102","author":"Fox T.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen W. L.","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen H. J. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert J.-P.","year":"1977","journal-title":"J. Comput. Phys."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"865","DOI":"10.1517\/13543784.17.6.865","volume":"17","author":"O\u2019Hare T.","year":"2008","journal-title":"Expert Opin. Invest. Drugs"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"e29828","DOI":"10.1371\/journal.pone.0029828","volume":"7","author":"Levinson N. M.","year":"2012","journal-title":"PloS One"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1833","DOI":"10.1124\/dmd.110.036616","volume":"39","author":"Li C.-M.","year":"2011","journal-title":"Drug Metab. Dispos."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1132","DOI":"10.1080\/08927022.2012.696113","volume":"38","author":"Cortopassi W. A.","year":"2012","journal-title":"Mol. Simul."}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja311756u","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T20:47:01Z","timestamp":1681764421000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja311756u"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,5,24]]},"references-count":48,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2013,6,5]]}},"alternative-id":["10.1021\/ja311756u"],"URL":"https:\/\/doi.org\/10.1021\/ja311756u","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,5,24]]}}}