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TitleFuro[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 58, Page 1062-1066, Year 2019
Publish dateNov 13, 2018 (structure data deposition date)
AuthorsNemec, V. / Hylsova, M. / Maier, L. / Flegel, J. / Sievers, S. / Ziegler, S. / Schroder, M. / Berger, B.T. / Chaikuad, A. / Valcikova, B. ...Nemec, V. / Hylsova, M. / Maier, L. / Flegel, J. / Sievers, S. / Ziegler, S. / Schroder, M. / Berger, B.T. / Chaikuad, A. / Valcikova, B. / Uldrijan, S. / Drapela, S. / Soucek, K. / Waldmann, H. / Knapp, S. / Paruch, K.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:30569600
MethodsX-ray diffraction
Resolution1.49 - 2.55 Å
Structure data

PDB-6i5h:
Crystal structure of CLK1 in complex with furanopyrimidin VN412
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-6i5i:
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6i5k:
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h)
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6i5l:
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-H3N:
5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine

ChemComp-HOH:
WATER

ChemComp-H3E:
5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine

ChemComp-H3H:
5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine

ChemComp-PO4:
PHOSPHATE ION

ChemComp-H3Q:
3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN TYROSINE KINASE / DUAL SPECIFICITY / SPLICING / HUMAN / Inhibitor / Structural Genomics / Structural Genomics Consortium / SGC / splicing kinase / furopyridine / CLK

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