5BVO

Fragment-based discovery of potent and selective DDR1/2 inhibitors

Summary for 5BVO

• Entry DOI: 10.2210/pdb5bvo/pdb
• Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: ddr1, fragments, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform 1: Cell membrane; Single-pass type I membrane protein. Isoform 2: Cell membrane; Single-pass type I membrane protein. Isoform 3: Secreted . Isoform 4: Cell membrane; Single-pass type I membrane protein: Q08345
• Total number of polymer chains: 1
• Total formula weight: 37753.56

Authors

Murray, C.,Berdini, V.,Buck, I.,Carr, M.,Cleasby, A.,Coyle, J.,Curry, J.,Day, J.,Hearn, K.,Iqbal, A.,Lee, L.,Martins, V.,Mortenson, P.,Munck, J.,Page, L.,Patel, S.,Roomans, S.,Kirsten, T.,Saxty, G. (deposition date: 2015-06-05, release date: 2015-08-05, Last modification date: 2024-05-08)

• Primary citation: Murray, C.W.,Berdini, V.,Buck, I.M.,Carr, M.E.,Cleasby, A.,Coyle, J.E.,Curry, J.E.,Day, J.E.,Day, P.J.,Hearn, K.,Iqbal, A.,Lee, L.Y.,Martins, V.,Mortenson, P.N.,Munck, J.M.,Page, L.W.,Patel, S.,Roomans, S.,Smith, K.,Tamanini, E.,Saxty, G.; Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.; Acs Med.Chem.Lett., 6:798-803, 2015; PubMed: 26191369; DOI: 10.1021/acsmedchemlett.5b00143

Experimental method

X-RAY DIFFRACTION (1.98 Å)