Exploring structure-selectivity relationships of biogenic amine GPCR antagonists using similarity searching and dynamic compound mapping

Molecular Diversity

Volumn 12, Issue 1, 2008, Pages 25-40

  Vogt, Ingo ^a   Ahmed, Hany E A ^a   Auer, Jens ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

2D Similarity methods; Compound selectivity; Database mining; GPCR antagonists; Mapping algorithms; Structure selectivity relationships

Indexed keywords

G PROTEIN COUPLED RECEPTOR; G PROTEIN COUPLED RECEPTOR ANTAGONIST; RECEPTOR BLOCKING AGENT;

ARTICLE; CALCULATION; CLUSTER ANALYSIS; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; PRIORITY JOURNAL;

BENCHMARKING; BIOGENIC AMINES; CLUSTER ANALYSIS; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; RECEPTORS, G-PROTEIN-COUPLED; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 46049091361     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-008-9071-2     Document Type: Article

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