Scaffold-focused virtual screening: Prospective application to the discovery of TTK inhibitors

Journal of Chemical Information and Modeling

Volumn 53, Issue 5, 2013, Pages 1100-1112

  Langdon, Sarah R ^a   Westwood, Isaac M ^a   Van Montfort, Rob L M ^a   Brown, Nathan ^a   Blagg, Julian ^a  

^a INSTITUTE OF CANCER RESEARCH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; FORESTRY; LIGANDS;

ACTIVE COMPOUNDS; BINDING MODES; COMPOUND LIBRARIES; INHIBITOR DESIGN; PROSPECTIVE APPLICATIONS; PROTEIN LIGANDS; SIMILARITY SEARCH; VIRTUAL SCREENING;

SCAFFOLDS (BIOLOGY);

BINDING; BIOCHEMISTRY; SCAFFOLDS; SCREENING;

CELL CYCLE PROTEIN; MOLECULAR LIBRARY; PROTEIN KINASE INHIBITOR; PROTEIN SERINE THREONINE KINASE; PROTEIN TYROSINE KINASE; TTK PROTEIN, HUMAN;

ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG SCREENING; HUMAN; IC50; MOLECULAR LIBRARY; PHARMACOLOGY; PROCEDURES; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY; ARTICLE; DRUG ANTAGONISM; IC 50; METHODOLOGY;

CELL CYCLE PROTEINS; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN-SERINE-THREONINE KINASES; PROTEIN-TYROSINE KINASES; SMALL MOLECULE LIBRARIES; USER-COMPUTER INTERFACE;

EID: 84878172023     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400100c     Document Type: Article

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