Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping

Bioorganic and Medicinal Chemistry Letters

Volumn 17, Issue 14, 2007, Pages 3880-3885

  Richardson, Christine M ^a   Nunns, Claire L ^a   Williamson, Douglas S ^a   Parratt, Martin J ^a   Dokurno, Pawel ^a   Howes, Rob ^a   Borgognoni, Jenifer ^a   Drysdale, Martin J ^a   Finch, Harry ^a   Hubbard, Roderick E ^a   Jackson, Philip S ^a   Kierstan, Peter ^a   Lentzen, Georg ^a   Moore, Jonathan D ^a   Murray, James B ^a   Simmonite, Heather ^a   Surgenor, Allan E ^a   Torrance, Christopher J ^a  

^a Vernalis PLC   (United Kingdom)

Author keywords

CDK2; Cyclin dependent kinase; Docking; Fragment based; Structure guided drug design; Virtual screening; X ray crystallography

Indexed keywords

CYCLIN DEPENDENT KINASE 2 INHIBITOR; GLYCOGEN SYNTHASE KINASE 3BETA;

ARTICLE; CRYSTAL STRUCTURE; DRUG POTENCY; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVITY; ENZYME BINDING; IC 50; PROTEIN MOTIF; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; PROTEIN KINASE INHIBITORS;

EID: 34250349894     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2007.04.110     Document Type: Article

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