Identification of a buried pocket for potent and selective inhibition of Chk1: Prediction and verification

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 6, 2006, Pages 1792-1804

  Foloppe, Nicolas ^a   Fisher, Lisa M ^a   Francis, Geraint ^a   Howes, Rob ^a   Kierstan, Peter ^a   Potter, Andrew ^a  

^a Vernalis PLC   (United Kingdom)

Author keywords

Drug design; Hydrogen bonds; Molecular modelling; Molecular recognition; Oncology; X ray crystallography

Indexed keywords

ADENOSINE TRIPHOSPHATE; CHECKPOINT KINASE 1; DEBROMOHYMENIALDISINE; INDAZOLE DERIVATIVE; LIGAND; PROTEIN INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; DRUG BINDING SITE; DRUG INHIBITION; LIGAND BINDING; PREDICTION; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN INTERACTION; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

ADENOSINE TRIPHOSPHATE; AZEPINES; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; INDAZOLES; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN KINASES; PYRROLES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 32144432668     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.10.022     Document Type: Article

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