Solution structures of the prototypical 18 kDa translocator protein ligand, PK 11195, elucidated with 1H/13C NMR spectroscopy and quantum chemistry

ACS Chemical Neuroscience

Volumn 3, Issue 4, 2012, Pages 325-335

  Lee, Yong Sok ^a   Siméon, Fabrice G ^b   Briard, Emmanuelle ^b   Pike, Victor W ^b  

^a NATIONAL INSTITUTES OF HEALTH   (United States)

^b NATIONAL INSTITUTE OF MENTAL HEALTH   (United States)

Author keywords

Dynamic 1H 13C NMR; Energetics; PK 11195; Quantum chemistry; Rotamer; Structure; TSPO; Variable temperature

Indexed keywords

N SEC BUTYL 1 (2 CHLOROPHENYL) N METHYL 3 ISOQUINOLINECARBOXAMIDE;

ARTICLE; BINDING AFFINITY; BINDING SITE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; ISOMER; LIPOPHILICITY; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

DYNAMIC 1H/13C NMR; ENERGETICS; PK 11195; QUANTUM CHEMISTRY; ROTAMER; STRUCTURE; TSPO; VARIABLE TEMPERATURE;

CARBON ISOTOPES; ISOQUINOLINES; LIGANDS; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN BINDING; PROTONS; QUANTUM THEORY; RECEPTORS, GABA; SOLUTIONS;

EID: 84859924205     PISSN: None     EISSN: 19487193     Source Type: Journal    
DOI: 10.1021/cn3000108     Document Type: Article

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