Comprehensive analysis of three-dimensional activity cliffs formed by kinase inhibitors with different binding modes and cliff mapping of structural analogues

Journal of Medicinal Chemistry

Volumn 58, Issue 1, 2015, Pages 252-264

  Furtmann, Norbert ^a   Hu, Ye ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; ENZYME INHIBITOR; PROTEIN BINDING;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; STRUCTURE ACTIVITY RELATION; ALGORITHM; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; PROCEDURES; PROTEIN ANALYSIS; PROTEIN TERTIARY STRUCTURE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOSPHOTRANSFERASES; PROTEIN BINDING; PROTEIN INTERACTION MAPPING; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84920947777     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm5009264     Document Type: Article

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