6HRP
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
Summary for 6HRP
Entry DOI | 10.2210/pdb6hrp/pdb |
Descriptor | Tyrosine-protein kinase BTK, 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one (3 entities in total) |
Functional Keywords | transferase-transferase inhibitor complex, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 33160.81 |
Authors | Janson, C.,Kuglstatter, A. (deposition date: 2018-09-28, release date: 2019-03-20, Last modification date: 2024-05-15) |
Primary citation | Lopez-Tapia, F.,Lou, Y.,Brotherton-Pleiss, C.,Kuglstatter, A.,So, S.S.,Kondru, R. A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation. Bioorg.Med.Chem.Lett., 29:1074-1078, 2019 Cited by PubMed: 30857747DOI: 10.1016/j.bmcl.2019.03.001 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.12 Å) |
Structure validation
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