6GWR

Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2

Summary for 6GWR

• Entry DOI: 10.2210/pdb6gwr/pdb
• Descriptor: Epithelial discoidin domain-containing receptor 1, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, SULFATE ION, ... (5 entities in total)
• Functional Keywords: transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 74136.81

Authors

Pinkas, D.M.,Fox, A.E.,Kupinska, K.,Burgess-Brown, N.A.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bullock, A.N. (deposition date: 2018-06-25, release date: 2018-08-08, Last modification date: 2018-09-26)

• Primary citation: Wang, Z.,Zhang, Y.,Pinkas, D.M.,Fox, A.E.,Luo, J.,Huang, H.,Cui, S.,Xiang, Q.,Xu, T.,Xun, Q.,Zhu, D.,Tu, Z.,Ren, X.,Brekken, R.A.,Bullock, A.N.,Liang, G.,Ding, K.,Lu, X.; Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.; J. Med. Chem., 61:7977-7990, 2018; PubMed: 30075624; DOI: 10.1021/acs.jmedchem.8b01045

Experimental method

X-RAY DIFFRACTION (2.07 Å)