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Structure paper

TitleInhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 5717-, Year 2008
Publish dateJun 27, 2008 (structure data deposition date)
AuthorsBardelle, C. / Coleman, T. / Cross, D. / Davenport, S. / Kettle, J.G. / Ko, E.J. / Leach, A.G. / Mortlock, A. / Read, J. / Roberts, N.J. ...Bardelle, C. / Coleman, T. / Cross, D. / Davenport, S. / Kettle, J.G. / Ko, E.J. / Leach, A.G. / Mortlock, A. / Read, J. / Roberts, N.J. / Robins, P. / Williams, E.J.
External linksBioorg. Med. Chem. Lett. / PubMed:18851911
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-2vwx:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-2vwy:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-2vwz:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-2vx1:
ephB4 kinase domain inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-7X4:
3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-7X5:
N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine

ChemComp-7X6:
N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE

ChemComp-7X8:
3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TYROSINE-PROTEIN KINASE / RECEPTOR TYROSINE KINASE / KINASE / MUTANT / MEMBRANE / RECEPTOR / ATP-BINDING / POLYMORPHISM / GLYCOPROTEIN / TRANSMEMBRANE / PHOSPHOPROTEIN / UNPHOSPHORYLATED / NUCLEOTIDE-BINDING

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