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-Structure paper
Title | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. |
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Journal, issue, pages | J. Med. Chem., Vol. 55, Page 5130-, Year 2012 |
Publish date | Mar 21, 2011 (structure data deposition date) |
Authors | Oza, V. / Ashwell, S. / Almeida, L. / Brassil, P. / Breed, J. / Deng, C. / Gero, T. / Grondine, M. / Horn, C. / Ioannidis, S. ...Oza, V. / Ashwell, S. / Almeida, L. / Brassil, P. / Breed, J. / Deng, C. / Gero, T. / Grondine, M. / Horn, C. / Ioannidis, S. / Liu, D. / Lyne, P. / Newcombe, N. / Pass, M. / Read, J.A. / Ready, S. / Rowsell, S. / Su, M. / Toader, D. / Vasbinder, M. / Yu, D. / Yu, Y. / Xue, Y. / Zabludoff, S. / Janetka, J. |
External links | J. Med. Chem. / PubMed:22551018 |
Methods | X-ray diffraction |
Resolution | 1.6 - 2 Å |
Structure data | PDB-2ydi: PDB-2ydj: PDB-2ydk: PDB-3pze: |
Chemicals | ChemComp-SO4: ChemComp-YDI: ChemComp-HOH: ChemComp-YDJ: ChemComp-PO4: ChemComp-GOL: ChemComp-YDK: ChemComp-CFK: |
Source |
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Keywords | TRANSFERASE / CHK / TRANSFERASE/TRANSFERASE INHIBITOR / kinase JNK1 / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex |