3R91

Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.

Summary for 3R91

• Entry DOI: 10.2210/pdb3r91/pdb
• Descriptor: Heat shock protein HSP 90-alpha, (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-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)
• Cellular location: Cytoplasm: P07900
• Total number of polymer chains: 1
• Total formula weight: 25849.11

Authors

Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Nittoli, T.,Otteng, M.,Ingalls, C.,Golas, J.M.,Liu, H.,Lucas, J.,Boschelli, F.,Vogan, E.,Hu, Y.,Levin, J.I. (deposition date: 2011-03-24, release date: 2011-05-11, Last modification date: 2023-09-13)

• Primary citation: Zapf, C.W.,Bloom, J.D.,McBean, J.L.,Dushin, R.G.,Nittoli, T.,Otteng, M.,Ingalls, C.,Golas, J.M.,Liu, H.,Lucas, J.,Boschelli, F.,Hu, Y.,Vogan, E.,Levin, J.I.; Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.; Bioorg.Med.Chem.Lett., 21:3411-3416, 2011; PubMed: 21515049; DOI: 10.1016/j.bmcl.2011.03.112

Experimental method

X-RAY DIFFRACTION (1.579 Å)