8FLH

Bruton's tyrosine kinase in complex with an orthosteric inhibitor

Summary for 8FLH

• Entry DOI: 10.2210/pdb8flh/pdb
• Related: 8FLG
• Descriptor: Tyrosine-protein kinase BTK, DIMETHYL SULFOXIDE, 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, ... (4 entities in total)
• Functional Keywords: tyrosine protein kinase btk, ligase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 33284.10

Authors

Metrick, C.M.,Marcotte, D.J. (deposition date: 2022-12-21, release date: 2023-03-01)

• Primary citation: Vandeveer, G.H.,Arduini, R.M.,Baker, D.P.,Barry, K.,Bohnert, T.,Bowden-Verhoek, J.K.,Conlon, P.,Cullen, P.F.,Guan, B.,Jenkins, T.J.,Liao, S.Y.,Lin, L.,Liu, Y.T.,Marcotte, D.,Mertsching, E.,Metrick, C.M.,Negrou, E.,Powell, N.,Scott, D.,Silvian, L.F.,Hopkins, B.T.; Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.; Bioorg.Med.Chem.Lett., 80:129108-129108, 2023; PubMed: 36538993; DOI: 10.1016/j.bmcl.2022.129108

Experimental method

X-RAY DIFFRACTION (1.55 Å)