5HOA

Crystal structure of c-Met L1195V in complex with SAR125844

Summary for 5HOA

DescriptorHepatocyte 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 Keywordstransferase, inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationMembrane; Single-pass type I membrane protein. Isoform 3: Secreted P08581
Total number of polymer chains1
Total molecular weight35843.5
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 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00280
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.14 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliers 0.270100 8.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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170172
PDB entries from 2020-10-21