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-Structure paper
Title | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. |
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Journal, issue, pages | J. Med. Chem., Vol. 56, Page 2196-2206, Year 2013 |
Publish date | Aug 9, 2012 (structure data deposition date) |
Authors | Ostermann, N. / Ruedisser, S. / Ehrhardt, C. / Breitenstein, W. / Marzinzik, A. / Jacoby, E. / Vangrevelinghe, E. / Ottl, J. / Klumpp, M. / Hartwieg, J.C. ...Ostermann, N. / Ruedisser, S. / Ehrhardt, C. / Breitenstein, W. / Marzinzik, A. / Jacoby, E. / Vangrevelinghe, E. / Ottl, J. / Klumpp, M. / Hartwieg, J.C. / Cumin, F. / Hassiepen, U. / Trappe, J. / Sedrani, R. / Geisse, S. / Gerhartz, B. / Richert, P. / Francotte, E. / Wagner, T. / Kromer, M. / Kosaka, T. / Webb, R.L. / Rigel, D.F. / Maibaum, J. / Baeschlin, D.K. |
External links | J. Med. Chem. / PubMed:23360239 |
Methods | X-ray diffraction |
Resolution | 2.4 - 2.75 Å |
Structure data | PDB-4gj8: PDB-4gj9: PDB-4gja: PDB-4gjb: PDB-4gjc: PDB-4gjd: |
Chemicals | ChemComp-NAG: ChemComp-0LU: ChemComp-SO4: ChemComp-0LW: ChemComp-HOH: ChemComp-0M2: ChemComp-0M3: ChemComp-0ME: ChemComp-0MJ: ChemComp-0N0: |
Source |
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Keywords | HYDROLASE/HYDROLASE INHIBITOR / renin inhibitor / fragment based screening / 3 / 5-disubstituted piperidines / HYDROLASE-HYDROLASE INHIBITOR complex |