6FEX

DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4%

Replaces:  6FIM

Summary for 6FEX

• Entry DOI: 10.2210/pdb6fex/pdb
• Related: 6fer 6few
• Descriptor: Epithelial discoidin domain-containing receptor 1, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, IODIDE ION, ... (6 entities in total)
• Functional Keywords: rtk, receptor tyrosine kinase, collagen, discoidin domain;, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 37912.86

Authors

Stihle, M.,Richter, H.,Benz, J.,Kuhn, B.,Rudolph, M.G. (deposition date: 2018-01-03, release date: 2018-11-28, Last modification date: 2020-12-16)

• Primary citation: Richter, H.,Satz, A.L.,Bedoucha, M.,Buettelmann, B.,Petersen, A.C.,Harmeier, A.,Hermosilla, R.,Hochstrasser, R.,Burger, D.,Gsell, B.,Gasser, R.,Huber, S.,Hug, M.N.,Kocer, B.,Kuhn, B.,Ritter, M.,Rudolph, M.G.,Weibel, F.,Molina-David, J.,Kim, J.J.,Santos, J.V.,Stihle, M.,Georges, G.J.,Bonfil, R.D.,Fridman, R.,Uhles, S.,Moll, S.,Faul, C.,Fornoni, A.,Prunotto, M.; DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.; Acs Chem.Biol., 14:37-49, 2019; PubMed: 30452219; DOI: 10.1021/acschembio.8b00866

Experimental method

X-RAY DIFFRACTION (1.291 Å)