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-Structure paper
Title | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 28, Page 2939-2944, Year 2018 |
Publish date | May 22, 2018 (structure data deposition date) |
![]() | Qiu, H. / Liu-Bujalski, L. / Caldwell, R.D. / Follis, A.V. / Gardberg, A. / Goutopoulos, A. / Grenningloh, R. / Head, J. / Johnson, T. / Jones, R. ...Qiu, H. / Liu-Bujalski, L. / Caldwell, R.D. / Follis, A.V. / Gardberg, A. / Goutopoulos, A. / Grenningloh, R. / Head, J. / Johnson, T. / Jones, R. / Mochalkin, I. / Morandi, F. / Neagu, C. / Sherer, B. |
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Methods | X-ray diffraction |
Resolution | 1.25 - 2 Å |
Structure data | ![]() PDB-6di3: ![]() PDB-6di5: ![]() PDB-6di9: |
Chemicals | ![]() ChemComp-GJA: ![]() ChemComp-HOH: ![]() ChemComp-GJ7: ![]() ChemComp-DMS: ![]() ChemComp-GJJ: |
Source |
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![]() | TRANSFERASE/TRANSFERASE Inhibitor / LEAD OPTIMIZATION / FRAGMENT SCREENING BY X-RAY / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex |