4OTR

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

Summary for 4OTR

Entry DOI	10.2210/pdb4otr/pdb
Related	4OT5 4OT6 4OTQ
Descriptor	Tyrosine-protein kinase BTK, 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	33298.12
Authors	Kuglstatter, A.,Wong, A. (deposition date: 2014-02-14, release date: 2014-05-14, Last modification date: 2023-09-20)
Primary citation	Lou, Y.,Han, X.,Kuglstatter, A.,Kondru, R.K.,Sweeney, Z.K.,Soth, M.,McIntosh, J.,Litman, R.,Suh, J.,Kocer, B.,Davis, D.,Park, J.,Frauchiger, S.,Dewdney, N.,Zecic, H.,Taygerly, J.P.,Sarma, K.,Hong, J.,Hill, R.J.,Gabriel, T.,Goldstein, D.M.,Owens, T.D. Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58:512-516, 2015 Cited by PubMed: 24712864 DOI: 10.1021/jm500305p PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation