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-Structure paper
Title | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 28, Page 3419-3424, Year 2018 |
Publish date | May 22, 2018 (structure data deposition date) |
Authors | Caldwell, R. / Liu-Bujalski, L. / Qiu, H. / Mochalkin, I. / Jones, R. / Neagu, C. / Goutopoulos, A. / Grenningloh, R. / Johnson, T. / Sherer, B. ...Caldwell, R. / Liu-Bujalski, L. / Qiu, H. / Mochalkin, I. / Jones, R. / Neagu, C. / Goutopoulos, A. / Grenningloh, R. / Johnson, T. / Sherer, B. / Gardberg, A. / Follis, A.V. / Morandi, F. / Head, J. |
External links | Bioorg. Med. Chem. Lett. / PubMed:30290988 |
Methods | X-ray diffraction |
Resolution | 1.1 - 1.3 Å |
Structure data | PDB-6di0: PDB-6di1: |
Chemicals | ChemComp-GJG: ChemComp-HOH: ChemComp-GJD: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE Inhibitor / LEAD OPTIMIZATION / FRAGMENT SCREENING BY X-RAY / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex |