3R92

Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.

Summary for 3R92

• Entry DOI: 10.2210/pdb3r92/pdb
• Descriptor: Heat shock protein HSP 90-alpha, (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide (3 entities in total)
• Functional Keywords: chaperone, atp binding domain, atp-binding, nucleotide-binding, phosphoprotein, stress response, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 25847.14

Authors

Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Golas, J.M.,Liu, H.,Lucas, J.,Boschelli, F.,Vogan, E.M.,Levin, J.I. (deposition date: 2011-03-24, release date: 2011-06-08, Last modification date: 2024-02-21)

• Primary citation: Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Golas, J.M.,Liu, H.,Lucas, J.,Boschelli, F.,Vogan, E.,Levin, J.I.; Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.; Bioorg.Med.Chem.Lett., 21:3627-3631, 2011; PubMed: 21605975; DOI: 10.1016/j.bmcl.2011.04.102

Experimental method

X-RAY DIFFRACTION (1.5801 Å)