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Res."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"723","DOI":"10.1021\/cr980018g","volume":"99","author":"Gao H.","year":"1999","journal-title":"Chem. Rev."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"7628","DOI":"10.1021\/jm050604j","volume":"48","author":"Demyttenaere-Kovatcheva A.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"4022","DOI":"10.1210\/endo.138.9.5487","volume":"138","author":"Tong W.","year":"1997","journal-title":"Endocrinology"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"15106","DOI":"10.1021\/ja047633o","volume":"126","author":"Manas E. S.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"17909","DOI":"10.1074\/jbc.M513684200","volume":"281","author":"Hsieh R. W.","year":"2006","journal-title":"J. Biol. Chem."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1021\/jm00145a002","volume":"28","author":"Goodford P. J.","year":"1985","journal-title":"J. Med. Chem."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"4637","DOI":"10.1021\/jm00023a003","volume":"38","author":"Pastor M.","year":"1995","journal-title":"J. Med. Chem."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1023\/A:1008180108753","volume":"14","author":"Filipponi E.","year":"2000","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"3033","DOI":"10.1021\/jm000934y","volume":"43","author":"Kastenholz M. A.","year":"2000","journal-title":"J. Med. Chem."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"2675","DOI":"10.1021\/jm0109053","volume":"45","author":"Terp G. E.","year":"2002","journal-title":"J. Med. 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