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TitleNew pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Journal, issue, pagesEur J Med Chem, Vol. 166, Page 304-317, Year 2019
Publish dateDec 14, 2018 (structure data deposition date)
AuthorsTazarki, H. / Zeinyeh, W. / Esvan, Y.J. / Knapp, S. / Chatterjee, D. / Schroder, M. / Joerger, A.C. / Khiari, J. / Josselin, B. / Baratte, B. ...Tazarki, H. / Zeinyeh, W. / Esvan, Y.J. / Knapp, S. / Chatterjee, D. / Schroder, M. / Joerger, A.C. / Khiari, J. / Josselin, B. / Baratte, B. / Bach, S. / Ruchaud, S. / Anizon, F. / Giraud, F. / Moreau, P.
External linksEur J Med Chem / PubMed:30731399
MethodsX-ray diffraction
Resolution2.29 - 3 Å
Structure data

PDB-6q8k:
CLK1 with bound pyridoquinazoline
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-6q8p:
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-FG9:
~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

ChemComp-HOH:
WATER

ChemComp-HQB:
~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine

ChemComp-K:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CLK1 / Dual specifity protein kinase CLK1 / Inhibitor / Kinase / Structural Genomics / Structural Genomics Consortium / SGC / SERINE/THREONINE-PROTEIN KINASE / TYROSINE-PROTEIN KINASE / NUCLEUS

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