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 Cited by PubMed: 21605975DOI: 10.1016/j.bmcl.2011.04.102 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5801 Å) |
Structure validation
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