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TitleOptimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
Journal, issue, pagesTo be published
Publish dateOct 12, 2016 (structure data deposition date)
AuthorsTokuhara, H. / Imaeda, Y. / Fukase, Y. / Iwanaga, K. / Taya, N. / Watanabe, K. / Kanagawa, R. / Matsuda, K. / Kajimoto, Y. / Kusumoto, K. ...Tokuhara, H. / Imaeda, Y. / Fukase, Y. / Iwanaga, K. / Taya, N. / Watanabe, K. / Kanagawa, R. / Matsuda, K. / Kajimoto, Y. / Kusumoto, K. / Kondo, M. / Snell, G.P. / Behnke, C.A. / Kuroita, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.2 - 2.65 Å
Structure data

PDB-5tmg:
Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5tmk:
Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

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

ChemComp-7EK:
5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

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

ChemComp-HOH:
WATER

ChemComp-7EJ:
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE inhibitor / protein-ligand complex / HYDROLASE-HYDROLASE inhibitor complex

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