5HNI

CRYSTAL STRUCTURE OF CMET WT with compound 3

Summary for 5HNI

• Entry DOI: 10.2210/pdb5hni/pdb
• Descriptor: Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate (3 entities in total)
• Functional Keywords: transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71484.66

Authors

Vallee, F.,Houtmann, J. (deposition date: 2016-01-18, release date: 2016-11-23, Last modification date: 2019-10-16)

• 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 (1.71 Å)