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TitleDiscovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 1001-1006, Year 2019
Publish dateJan 14, 2019 (structure data deposition date)
AuthorsMartin, M.W. / Lancia Jr., D.R. / Li, H. / Schiller, S.E.R. / Toms, A.V. / Wang, Z. / Bair, K.W. / Castro, J. / Fessler, S. / Gotur, D. ...Martin, M.W. / Lancia Jr., D.R. / Li, H. / Schiller, S.E.R. / Toms, A.V. / Wang, Z. / Bair, K.W. / Castro, J. / Fessler, S. / Gotur, D. / Hubbs, S.E. / Kauffman, G.S. / Kershaw, M. / Luke, G.P. / McKinnon, C. / Yao, L. / Lu, W. / Millan, D.S.
External linksBioorg. Med. Chem. Lett. / PubMed:30803804
MethodsX-ray diffraction
Resolution2.26 Å
Structure data

PDB-6nna:
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Nicotinamide adenine dinucleotide phosphate

ChemComp-KUA:
{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-HOH:
WATER / Water

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / FATTY ACID SYNTHASE / HUMAN FAS / KETO-REDUCTASE

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