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TitleOptimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 360-364, Year 2009
Publish dateSep 19, 2008 (structure data deposition date)
AuthorsChamberlain, S.D. / Redman, A.M. / Wilson, J.W. / Deanda, F. / Shotwell, J.B. / Gerding, R. / Lei, H. / Yang, B. / Stevens, K.L. / Hassell, A.M. ...Chamberlain, S.D. / Redman, A.M. / Wilson, J.W. / Deanda, F. / Shotwell, J.B. / Gerding, R. / Lei, H. / Yang, B. / Stevens, K.L. / Hassell, A.M. / Shewchuk, L.M. / Leesnitzer, M.A. / Smith, J.L. / Sabbatini, P. / Atkins, C. / Groy, A. / Rowand, J.L. / Kumar, R. / Mook, R.A. / Moorthy, G. / Patnaik, S.
External linksBioorg. Med. Chem. Lett. / PubMed:19071018
MethodsX-ray diffraction
Resolution1.8 - 2.2 Å
Structure data

PDB-3ekn:
Insulin receptor kinase complexed with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3elj:
Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-GS3:
2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide

ChemComp-HOH:
WATER

ChemComp-GS7:
2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / insulin / tyrosine kinase / ATP-binding / Carbohydrate metabolism / Cleavage on pair of basic residues / Diabetes mellitus / Disease mutation / Glycoprotein / Kinase / Membrane / Nucleotide-binding / Phosphoprotein / Receptor / Transmembrane / Tyrosine-protein kinase / c-Jun N-terminal kinase / mitogen-activated protein kinase / Serine/threonine-protein kinase / JNK1

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