5VGO

Bruton's tyrosine kinase (BTK) with compound G-744

Summary for 5VGO

• Entry DOI: 10.2210/pdb5vgo/pdb
• Related: 5VFI
• Descriptor: Tyrosine-protein kinase BTK, SULFATE ION, GLYCEROL, ... (6 entities in total)
• Functional Keywords: protein kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q06187
• Total number of polymer chains: 1
• Total formula weight: 32932.84

Authors

Yu, C.,Eigenbrot, C. (deposition date: 2017-04-11, release date: 2017-07-05, Last modification date: 2023-10-04)

Primary citation

Wang, X.,Barbosa, J.,Blomgren, P.,Bremer, M.C.,Chen, J.,Crawford, J.J.,Deng, W.,Dong, L.,Eigenbrot, C.,Gallion, S.,Hau, J.,Hu, H.,Johnson, A.R.,Katewa, A.,Kropf, J.E.,Lee, S.H.,Liu, L.,Lubach, J.W.,Macaluso, J.,Maciejewski, P.,Mitchell, S.A.,Ortwine, D.F.,DiPaolo, J.,Reif, K.,Scheerens, H.,Schmitt, A.,Wong, H.,Xiong, J.M.,Xu, J.,Zhao, Z.,Zhou, F.,Currie, K.S.,Young, W.B.
Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8:608-613, 2017

PubMed Abstract: In our continued effort to discover and develop best-in-class Bruton's tyrosine kinase (Btk) inhibitors for the treatment of B-cell lymphomas, rheumatoid arthritis, and systemic lupus erythematosus, we devised a series of novel tricyclic compounds that improved upon the druglike properties of our previous chemical matter. Compounds exemplified by are highly potent, selective for Btk, metabolically stable, well tolerated, and efficacious in an animal model of arthritis.

PubMed: 28626519
DOI: 10.1021/acsmedchemlett.7b00103

Experimental method

X-RAY DIFFRACTION (1.621 Å)