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-Structure paper
Title | Discovery of the Bruton's Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 ( S )-5-(1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3 H -1,2,4-triazol-3-one, by Fragment-Based Drug Design. |
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Journal, issue, pages | J. Med. Chem., Vol. 64, Page 12893-12902, Year 2021 |
Publish date | Jun 6, 2021 (structure data deposition date) |
![]() | Sabat, M. / Dougan, D.R. / Knight, B. / Lawson, J.D. / Scorah, N. / Smith, C.R. / Taylor, E.R. / Vu, P. / Wyrick, C. / Wang, H. ...Sabat, M. / Dougan, D.R. / Knight, B. / Lawson, J.D. / Scorah, N. / Smith, C.R. / Taylor, E.R. / Vu, P. / Wyrick, C. / Wang, H. / Balakrishna, D. / Hixon, M. / Madakamutil, L. / McConn, D. |
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Methods | X-ray diffraction |
Resolution | 1.25 - 1.85 Å |
Structure data | ![]() PDB-7n5o: ![]() PDB-7n5r: ![]() PDB-7n5x: ![]() PDB-7n5y: |
Chemicals | ![]() ChemComp-IMD: ![]() ChemComp-PGO: ![]() ChemComp-0BQ: ![]() ChemComp-EDO: ![]() ChemComp-HOH: ![]() ChemComp-DMS: ![]() ChemComp-0UW: ![]() ChemComp-0GW: ![]() ChemComp-0CI: |
Source |
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![]() | TRANSFERASE/TRANSFERASE inhibitor / cytoplasmic tyrosine kinase / transcriptional regulation / nuclear factor-kappaB / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex |