6OMU

Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib

Summary for 6OMU

Entry DOI	10.2210/pdb6omu/pdb
Descriptor	Tyrosine-protein kinase BTK, CHLORIDE ION, 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, ... (4 entities in total)
Functional Keywords	kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	32063.25
Authors	Mochalkin, I.,Gardberg, A.S. (deposition date: 2019-04-19, release date: 2019-08-14, Last modification date: 2023-10-11)
Primary citation	Caldwell, R.D.,Qiu, H.,Askew, B.C.,Bender, A.T.,Brugger, N.,Camps, M.,Dhanabal, M.,Dutt, V.,Eichhorn, T.,Gardberg, A.S.,Goutopoulos, A.,Grenningloh, R.,Head, J.,Healey, B.,Hodous, B.L.,Huck, B.R.,Johnson, T.L.,Jones, C.,Jones, R.C.,Mochalkin, I.,Morandi, F.,Nguyen, N.,Meyring, M.,Potnick, J.R.,Santos, D.C.,Schmidt, R.,Sherer, B.,Shutes, A.,Urbahns, K.,Follis, A.V.,Wegener, A.A.,Zimmerli, S.C.,Liu-Bujalski, L. Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62:7643-7655, 2019 Cited by PubMed: 31368705 DOI: 10.1021/acs.jmedchem.9b00794 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.41 Å)

Structure validation