Correction: Synthesis and structure−activity relationships of DCLK1 kinase inhibitors based on a 5,11-dihydro‑6H‑benzo[e]pyrimido[5,4‑b][1,4]diazepin-6-one Scaffold (Journal of Medical Chemistry (2020) 63:14 (7817−7826) DOI: 10.1021/acs.jmedchem.0c00596)

Fleur M. Ferguson, Yan Liu, Wayne Harshbarger, Ling Huang, Jinhua Wang, Xianming Deng, Stephen J. Capuzzi, Eugene N. Muratov, Alexander Tropsha, Senthil Muthuswamy, Kenneth D. Westover, Nathanael S. Gray

Research output: Contribution to journalComment/debatepeer-review

Abstract

Page from: 7819. Column 1, paragraph 3 should be corrected “Having failed to improve the selectivity via substitution of R2 or R3, we turned to exploration of the R4 group. DCLK1 and LRRK2 possess a methionine gatekeeper residue (Met465 and Met1947, respectively), unlike ERK5, which has a leucine gatekeeper (Leu137). Examination of the ERK5-XMD8-9215 and the DCLK1-XMD8-85 cocrystal structures revealed that the R4 methyl group is oriented toward the gatekeeper residue (Supporting Information Figure 1). Therefore, we hypothesized that varying the R4 group may lead to improved selectivity against ERK5.” to: “Having failed to improve the selectivity via substitution of R2 or R3, we turned to exploration of the R4 group. DCLK1 and LRRK2 possess a methionine gatekeeper residue (Met465 and Met1947, respectively), unlike ERK5, which has a leucine gatekeeper (Leu137). Examination of the ERK5-XMD8-9215 and the DCLK1-XMD8-85 cocrystal structures (Personal Communication, O. Patel & I. Lucet) revealed that the R4 methyl group is oriented toward the gatekeeper residue (Supporting Information Figure 1). Therefore, we hypothesized that varying the R4 group may lead to improved selectivity against ERK5.”

Original languageEnglish (US)
Pages (from-to)10088
Number of pages1
JournalJournal of Medicinal Chemistry
Volume63
Issue number17
DOIs
StatePublished - Sep 10 2020

ASJC Scopus subject areas

  • Molecular Medicine
  • Drug Discovery

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