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Structure paper

TitleDesign and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 5092-5097, Year 2016
Publish dateFeb 2, 2016 (structure data deposition date)
AuthorsKuhne, H. / Obst-Sander, U. / Kuhn, B. / Conte, A. / Ceccarelli, S.M. / Neidhart, W. / Rudolph, M.G. / Ottaviani, G. / Gasser, R. / So, S.S. ...Kuhne, H. / Obst-Sander, U. / Kuhn, B. / Conte, A. / Ceccarelli, S.M. / Neidhart, W. / Rudolph, M.G. / Ottaviani, G. / Gasser, R. / So, S.S. / Li, S. / Zhang, X. / Gao, L. / Myers, M.
External linksBioorg. Med. Chem. Lett. / PubMed:27658368
MethodsX-ray diffraction
Resolution1.12 - 2.3 Å
Structure data

PDB-5hz5:
FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5hz6:
FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-5hz8:
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-5hz9:
human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-65X:
6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline

ChemComp-HOH:
WATER

ChemComp-65Y:
6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid

ChemComp-65Z:
6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid

ChemComp-5M8:
6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsLIPID BINDING PROTEIN / FATTY ACID BINDING PROTEIN / CYTOPLASM / LIPID-BINDING / TRANSPORT / PROTEIN BINDING / TRANSPORT PROTEIN / RO6806346_REFMAC / _REFMAC / _PHENIX

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