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Structure paper

TitleDesign and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 2159-2164, Year 2018
Publish dateJun 17, 2015 (structure data deposition date)
AuthorsLu, T. / Schubert, C. / Cummings, M.D. / Bignan, G. / Connolly, P.J. / Smans, K. / Ludovici, D. / Parker, M.H. / Meyer, C. / Rocaboy, C. ...Lu, T. / Schubert, C. / Cummings, M.D. / Bignan, G. / Connolly, P.J. / Smans, K. / Ludovici, D. / Parker, M.H. / Meyer, C. / Rocaboy, C. / Alexander, R. / Grasberger, B. / De Breucker, S. / Esser, N. / Fraiponts, E. / Gilissen, R. / Janssens, B. / Peeters, D. / Van Nuffel, L. / Vermeulen, P. / Bischoff, J. / Meerpoel, L.
External linksBioorg. Med. Chem. Lett. / PubMed:29779975
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-5c37:
Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-4XN:
6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE Inhibitor / fatty acid synthase / inhibitor / beta-ketoacyl reductase / cancer / OXIDOREDUCTASE-OXIDOREDUCTASE Inhibitor complex

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