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TitleDiscovery 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).
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 7066-7074, Year 2016
Publish dateJan 15, 2016 (structure data deposition date)
AuthorsUgolini, A. / Kenigsberg, M. / Rak, A. / Vallee, F. / Houtmann, J. / Lowinski, M. / Capdevila, C. / Khider, J. / Albert, E. / Martinet, N. ...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.
External linksJ. Med. Chem. / PubMed:27355974
MethodsX-ray diffraction
Resolution1.71 - 2.2 Å
Structure data

PDB-5hlw:
Crystal structure of c-Met mutant Y1230H in complex with compound 14
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5hni:
CRYSTAL STRUCTURE OF CMET WT with compound 3
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-5ho6:
CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD.
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5hoa:
Crystal structure of c-Met L1195V in complex with SAR125844
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-5hor:
Crystal structure of c-Met-M1250T in complex with SAR125844.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-62E:
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea

ChemComp-HOH:
WATER

ChemComp-63B:
methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate

ChemComp-63K:
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

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TRANSFERASE INHIBITOR / inhibitor

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