Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative.

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Kinoshita T, Warizaya M, Ohori M, Sato K, Neya M, Fujii T

Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative.

Bioorg Med Chem Lett. 2006 Jan 1;16(1):55-8. Epub 2005 Oct 18.

PubMed ID

16242327 [View in PubMed

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Abstract

A series of pyrazolopyridazine compounds were briefly investigated as ERK2 inhibitors. The crystal structure of ERK2 complexed with an allyl derivative was determined. The compound induces structural change including movement of the glycine-rich loop and peptide flip between Met108-Glu109. As a result, the newly formed subsite can recognize small hydrophobic substituents but not hydrophilic ones.

DrugBank Data that Cites this Article

Polypeptides

Name	UniProt ID
Mitogen-activated protein kinase 1	P28482	Details

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE	Mitogen-activated protein kinase 1	IC 50 (nM)	1900	N/A	N/A	Details