Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3R4O

Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

Summary for 3R4O
Entry DOI10.2210/pdb3r4o/pdb
Related3R4M 3R4N 3R4P
DescriptorHeat shock protein HSP 90-alpha, 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (3 entities in total)
Functional Keywordschaperone, atp binding, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm: P07900
Total number of polymer chains2
Total formula weight52174.37
Authors
Gajiwala, K.S. (deposition date: 2011-03-17, release date: 2011-04-27, Last modification date: 2024-02-21)
Primary citationZehnder, L.,Bennett, M.,Meng, J.,Huang, B.,Ninkovic, S.,Wang, F.,Braganza, J.,Tatlock, J.,Jewell, T.,Zhou, J.Z.,Burke, B.,Wang, J.,Maegley, K.,Mehta, P.P.,Yin, M.J.,Gajiwala, K.S.,Hickey, M.J.,Yamazaki, S.,Smith, E.,Kang, P.,Sistla, A.,Dovalsantos, E.,Gehring, M.R.,Kania, R.,Wythes, M.,Kung, P.P.
Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54:3368-3385, 2011
Cited by
PubMed: 21438541
DOI: 10.1021/jm200128m
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.65 Å)
Structure validation

217157

PDB entries from 2024-03-13

PDB statisticsPDBj update infoContact PDBjnumon