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TitleDiscovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 1536-1551, Year 2022
Publish dateMar 24, 2021 (structure data deposition date)
AuthorsZhang, L. / Moccia, M. / Briggs, D.C. / Bharate, J.B. / Lakkaniga, N.R. / Knowles, P. / Yan, W. / Tran, P. / Kharbanda, A. / Wang, X. ...Zhang, L. / Moccia, M. / Briggs, D.C. / Bharate, J.B. / Lakkaniga, N.R. / Knowles, P. / Yan, W. / Tran, P. / Kharbanda, A. / Wang, X. / Leung, Y.K. / Frett, B. / Santoro, M. / McDonald, N.Q. / Carlomagno, F. / Li, H.Y.
External linksJ. Med. Chem. / PubMed:35081714
MethodsX-ray diffraction
Resolution2.39 Å
Structure data

PDB-7nzn:
Structure of RET kinase domain bound to inhibitor JB-48
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

Chemicals

ChemComp-VJH:
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / Inhibitor / Cancer / Receptor Tyrosine Kinase

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