Erratum: Inhibitors of ketohexokinase: Discovery of pyrimidinopyrimidines with specific substitution that complements the ATP-binding site (ACS Medicinal Chemistry Letters (2011) 2:7 (538-543) DOI: 10.1021/ml200070g);Inhibitors of ketohexokinase: Discovery of pyrimidinopyrimidines with specific substitution that complements the ATP-binding site

ACS Medicinal Chemistry Letters

Volumn 2, Issue 7, 2011, Pages 538-543

  Maryanoff, Bruce E ^a,b,c   O'Neill, John C ^a   McComsey, David F ^a   Yabut, Stephen C ^a   Luci, Diane K ^a   Jordan Jr , Alfonzo D ^a   Masucci, John A ^a   Jones, William J ^a   Abad, Marta C ^a   Gibbs, Alan C ^a   Petrounia, Ioanna ^a  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c Pennsylvania Drug Discovery Institute   (United States)

Author keywords

crystal structure; diabetes; fructose metabolism; Kinase; obesity

Indexed keywords

ADENOSINE TRIPHOSPHATE; KETOHEXOKINASE; KETOHEXOKINASE INHIBITOR; PHOSPHOTRANSFERASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG DESIGN; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; HUMAN; IC 50; NONHUMAN; PRIORITY JOURNAL; X RAY CRYSTALLOGRAPHY;

EID: 79960394818     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml300023e     Document Type: Erratum

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34. The atomic coordinates and structure factors for KHK complexes with 3, 8, and 47 were deposited in the Protein Data Bank, with the accession codes 3QA2, 3Q92, and 3QAI, respectively [Protein Data Bank, Research Collaboratory for Structural Bioinformatics (http://www.rcsb.org)].
35. The compound kinase specificity was assessed against a panel of 31 kinases (see the Supporting Information) with a FRET assay platform by Invitrogen (http://www.invitrogen.com). (41) Representative kinases across the various kinase families were tested with 10 μM compound and 100 μM ATP. Inhibition activities were ranked based on percent inhibition at 10 μM. Compounds with inhibition of less than 25% at 10 μM were classified as selective for KHK.
36. A CEREP panel for receptors and ion channels was performed (http://www.cerep.fr/cerep/users/index.asp). (41)