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TitleDiscovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 7, Page 324-329, Year 2016
Publish dateJan 16, 2016 (structure data deposition date)
AuthorsBogen, S.L. / Pan, W. / Gibeau, C.R. / Lahue, B.R. / Ma, Y. / Nair, L.G. / Seigel, E. / Shipps, G.W. / Tian, Y. / Wang, Y. ...Bogen, S.L. / Pan, W. / Gibeau, C.R. / Lahue, B.R. / Ma, Y. / Nair, L.G. / Seigel, E. / Shipps, G.W. / Tian, Y. / Wang, Y. / Lin, Y. / Liu, M. / Liu, S. / Mirza, A. / Wang, X. / Lipari, P. / Seidel-Dugan, C. / Hicklin, D.J. / Bishop, W.R. / Rindgen, D. / Nomeir, A. / Prosise, W. / Reichert, P. / Scapin, G. / Strickland, C. / Doll, R.J.
External linksAcs Med. Chem. Lett. / PubMed:26985323
MethodsX-ray diffraction
Resolution1.74 - 2.17 Å
Structure data

PDB-5hmh:
HDM2 in complex with a 3,3-Disubstituted Piperidine
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-5hmi:
HDM2 in complex with a 3,3-Disubstituted Piperidine
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-5hmk:
HDM2 in complex with a 3,3-Disubstituted Piperidine
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

ChemComp-62R:
4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-62T:
{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone

ChemComp-62Q:
{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone

Source
  • homo sapiens (human)
Keywordsligase/ligase inhibitor / Oncology / E3 ubiquitin-protein ligase / p53/TP53 / ligase-ligase inhibitor complex

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