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TitleDiscovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 7643-7655, Year 2019
Publish dateApr 19, 2019 (structure data deposition date)
AuthorsCaldwell, R.D. / Qiu, H. / Askew, B.C. / Bender, A.T. / Brugger, N. / Camps, M. / Dhanabal, M. / Dutt, V. / Eichhorn, T. / Gardberg, A.S. ...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.
External linksJ. Med. Chem. / PubMed:31368705
MethodsX-ray diffraction
Resolution1.41 Å
Structure data

PDB-6omu:
Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-MZJ:
1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one / inhibitor*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Kinase Inhibitor / Transferase-Transferase Inhibitor complex

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