Structure-based design of estrogen receptor-β selective ligands

Journal of the American Chemical Society

Volumn 126, Issue 46, 2004, Pages 15106-15119

  Manas, Eric S ^a   Unwalla, Rayomand J ^a   Xu, Zhang B ^a   Malamas, Michael S ^a   Miller, Chris P ^b   Harris, Heather A ^a   Hsiao, Chulai ^a   Akopian, Tatos ^c   Hum, Wah Tung ^a   Malakian, Karl ^a   Wolfrom, Scott ^a   Bapat, Ashok ^a   Bhat, Ramesh A ^a   Stahl, Mark L ^a   Somers, William S ^a   Alvarez, Juan C ^d  

^a PFIZER INC   (United States)

^b GLAXOSMITHKLINE   (United States)

^c ASTRAZENECA   (United Kingdom)

^d TransForm Pharmaceuticals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; OPTIMIZATION; PROTEINS; QUANTUM THEORY;

ESTROGENS; MOLECULAR MODELING; QUANTUM CHEMICAL CALCULATIONS; SELECTIVE LIGANDS;

HORMONES;

2 (3 FLUORO 4 HYDROXYPHENYL) 7 VINYL 5 BENZOXAZOLOL; BENZOFURAN DERIVATIVE; BENZOXAZOLE DERIVATIVE; COMPLEMENTARY DNA; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; FUNCTIONAL GROUP; LIGAND; RADIOLIGAND; UNCLASSIFIED DRUG; WAY 244; WAY 292; WAY 354; WAY 358; WAY 397; WAY 659; WAY 697; WAY 818;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; HUMAN; LIGAND BINDING; MOLECULAR MODEL; PROTEIN DOMAIN; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REVERSE TRANSCRIPTION POLYMERASE CHAIN REACTION; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; BENZOFURANS; BENZOXAZOLES; BINDING SITES; BINDING, COMPETITIVE; CRYSTALLOGRAPHY, X-RAY; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; HUMANS; LIGANDS; MALE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; QUANTUM THEORY; RADIOLIGAND ASSAY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 9344269434     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja047633o     Document Type: Article

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