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SCONP arranges the scaffolds of the natural products in a tree-like fashion and provides a viable analysis- and hypothesis-generating tool for the design of natural product-derived compound collections. The validity of the approach is demonstrated in the development of a previously undescribed class of selective and potent inhibitors of 11\u03b2-hydroxysteroid dehydrogenase type 1 with activity in cells guided by SCONP and protein structure similarity clustering. 11\u03b2-hydroxysteroid dehydrogenase type 1 is a target in the development of new therapies for the treatment of diabetes, the metabolic syndrome, and obesity.<\/jats:p>","DOI":"10.1073\/pnas.0503647102","type":"journal-article","created":{"date-parts":[[2005,11,21]],"date-time":"2005-11-21T20:25:35Z","timestamp":1132604735000},"page":"17272-17277","update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":524,"title":["Charting biologically relevant chemical space: A structural classification of natural products (SCONP)"],"prefix":"10.1073","volume":"102","author":[{"given":"Marcus A.","family":"Koch","sequence":"first","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ansgar","family":"Schuffenhauer","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael","family":"Scheck","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefan","family":"Wetzel","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marco","family":"Casaulta","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alex","family":"Odermatt","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peter","family":"Ertl","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Herbert","family":"Waldmann","sequence":"additional","affiliation":[{"name":"Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Strasse 11, D-44227 Dortmund, Germany; Fachbereich 3, Chemische Biologie, Universit\u00e4t Dortmund, Otto-Hahn-Strasse 6, D-44227 Dortmund, Germany; Novartis Institutes for Biomedical Research, CH-4002 Basel, Switzerland; and Department of Nephrology and Hypertension, Department of Clinical Research, University of Berne, Freiburgstrasse 15, CH-3010 Berne, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"341","published-online":{"date-parts":[[2005,11,21]]},"reference":[{"key":"e_1_3_2_1_2","first-page":"2879","volume":"41","year":"2002","unstructured":"Breinbauer, R., Vetter, I. 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