5HOA

Crystal structure of c-Met L1195V in complex with SAR125844

Summary for 5HOA

• Entry DOI: 10.2210/pdb5hoa/pdb
• Descriptor: Hepatocyte growth factor receptor, 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea (3 entities in total)
• Functional Keywords: transferase, inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane; Single-pass type I membrane protein. Isoform 3: Secreted: P08581
• Total number of polymer chains: 1
• Total formula weight: 35843.50

Authors

Vallee, F.,Marquette, J.-P. (deposition date: 2016-01-19, release date: 2016-11-23)

• Primary citation: Ugolini, A.,Kenigsberg, M.,Rak, A.,Vallee, F.,Houtmann, J.,Lowinski, M.,Capdevila, C.,Khider, J.,Albert, E.,Martinet, N.,Nemecek, C.,Grapinet, S.,Bacque, E.,Roesner, M.,Delaisi, C.,Calvet, L.,Bonche, F.,Semiond, D.,Egile, C.,Goulaouic, H.,Schio, L.; Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).; J.Med.Chem., 59:7066-7074, 2016; PubMed: 27355974; DOI: 10.1021/acs.jmedchem.6b00280

Experimental method

X-RAY DIFFRACTION (2.14 Å)