6HRT

CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one

Summary for 6HRT

Entry DOI	10.2210/pdb6hrt/pdb
Related	6HRP
Descriptor	Tyrosine-protein kinase BTK, (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-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	33185.86
Authors	Kuglstatter, A.,Janson, C. (deposition date: 2018-09-28, release date: 2019-03-20, Last modification date: 2019-05-15)
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: 30857747 DOI: 10.1016/j.bmcl.2019.03.001 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.36 Å)

Structure validation