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4RFZ

Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one

Summary for 4RFZ
Entry DOI10.2210/pdb4rfz/pdb
Related4OTR 4RFY 4RG0
DescriptorTyrosine-protein kinase BTK, 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordstransferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total formula weight33302.06
Authors
Kuglstatter, A.,Wong, A. (deposition date: 2014-09-29, release date: 2014-12-24, Last modification date: 2023-09-20)
Primary citationLou, Y.,Sweeney, Z.K.,Kuglstatter, A.,Davis, D.,Goldstein, D.M.,Han, X.,Hong, J.,Kocer, B.,Kondru, R.K.,Litman, R.,McIntosh, J.,Sarma, K.,Suh, J.,Taygerly, J.,Owens, T.D.
Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25:367-371, 2015
Cited by
PubMed: 25466710
DOI: 10.1016/j.bmcl.2014.11.030
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.17 Å)
Structure validation

217705

数据于2024-03-27公开中

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