7KXQ

BTK1 SOAKED WITH COMPOUND 30

Summary for 7KXQ

• Entry DOI: 10.2210/pdb7kxq/pdb
• Descriptor: Isoform BTK-C of Tyrosine-protein kinase BTK, DIMETHYL SULFOXIDE, 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, ... (4 entities in total)
• Functional Keywords: transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 32264.20

Authors

Viacava Follis, A. (deposition date: 2020-12-04, release date: 2021-05-19, Last modification date: 2023-10-18)

• Primary citation: Qiu, H.,Ali, Z.,Bender, A.,Caldwell, R.,Chen, Y.Y.,Fang, Z.,Gardberg, A.,Glaser, N.,Goettsche, A.,Goutopoulos, A.,Grenningloh, R.,Hanschke, B.,Head, J.,Johnson, T.,Jones, C.,Jones, R.,Kulkarni, S.,Maurer, C.,Morandi, F.,Neagu, C.,Poetzsch, S.,Potnick, J.,Schmidt, R.,Roe, K.,Viacava Follis, A.,Wing, C.,Zhu, X.,Sherer, B.; Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.; Bioorg.Med.Chem., 40:116163-116163, 2021; PubMed: 33932711; DOI: 10.1016/j.bmc.2021.116163

Experimental method

X-RAY DIFFRACTION (1.38 Å)