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Structure paper

TitleStructure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 188-194, Year 2020
Publish dateNov 21, 2019 (structure data deposition date)
AuthorsKawanami, T. / Karki, R.G. / Cody, E. / Liu, Q. / Liang, G. / Ksander, G.M. / Rigel, D.F. / Schiering, N. / Gong, Y. / Coppola, G.M. ...Kawanami, T. / Karki, R.G. / Cody, E. / Liu, Q. / Liang, G. / Ksander, G.M. / Rigel, D.F. / Schiering, N. / Gong, Y. / Coppola, G.M. / Iwaki, Y. / Sun, R. / Neubert, A. / Fan, L. / Ingles, S. / D'Arcy, A. / Villard, F. / Ramage, P. / Jeng, A.Y. / Leung-Chu, J. / Liu, J. / Beil, M. / Fu, F. / Chen, W. / Cumin, F. / Wiesmann, C. / Mogi, M.
External linksAcs Med. Chem. Lett. / PubMed:32071687
MethodsX-ray diffraction
Resolution2.54 Å
Structure data

PDB-6thp:
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-ZN:
Unknown entry

ChemComp-N9Q:
4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Complex

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