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TitleDesign, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 6942-6990, Year 2017
Publish dateFeb 17, 2017 (structure data deposition date)
AuthorsOkawa, T. / Aramaki, Y. / Yamamoto, M. / Kobayashi, T. / Fukumoto, S. / Toyoda, Y. / Henta, T. / Hata, A. / Ikeda, S. / Kaneko, M. ...Okawa, T. / Aramaki, Y. / Yamamoto, M. / Kobayashi, T. / Fukumoto, S. / Toyoda, Y. / Henta, T. / Hata, A. / Ikeda, S. / Kaneko, M. / Hoffman, I.D. / Sang, B.C. / Zou, H. / Kawamoto, T.
External linksJ. Med. Chem. / PubMed:28699740
MethodsX-ray diffraction
Resolution2.65 - 2.7 Å
Structure data

PDB-5uuu:
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5uvc:
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-QRW:
3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide

ChemComp-SO4:
SULFATE ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-8PV:
N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Kinase / Inhibitor / Heart Failure / Transferase-Transferase Inhibitor complex

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