Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects

Journal of Medicinal Chemistry

Volumn 51, Issue 19, 2008, Pages 6225-6229

  Constantine, Keith L ^a   Mueller, Luciano ^a   Metzler, William J ^a   McDonnell, Patricia A ^a   Todderud, Gordon ^a   Goldfarb, Valentina ^a   Fan, Yi ^a   Newitt, John A ^a   Kiefer, Susan E ^a   Gao, Mian ^a   Tortolani, David ^a   Vaccaro, Wayne ^a   Tokarski, John ^a  

^a BRISTOL MYERS SQUIBB   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

5 HYDROXYISOQUINOLINE; ISOQUINOLINE DERIVATIVE; MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE ACTIVATED PROTEIN KINASE 2; PHOSPHOTRANSFERASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; DRUG POTENCY; DRUG SCREENING; IC 50; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; STEREOCHEMISTRY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; HUMANS; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; ISOQUINOLINES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN KINASE INHIBITORS; PROTEIN-SERINE-THREONINE KINASES; PROTONS; REFERENCE STANDARDS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 53549089920     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm800747w     Document Type: Article

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