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Structure paper

TitleDiscovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 6348-6358, Year 2015
Publish dateMay 21, 2015 (structure data deposition date)
AuthorsHolzer, P. / Masuya, K. / Furet, P. / Kallen, J. / Valat-Stachyra, T. / Ferretti, S. / Berghausen, J. / Bouisset-Leonard, M. / Buschmann, N. / Pissot-Soldermann, C. ...Holzer, P. / Masuya, K. / Furet, P. / Kallen, J. / Valat-Stachyra, T. / Ferretti, S. / Berghausen, J. / Bouisset-Leonard, M. / Buschmann, N. / Pissot-Soldermann, C. / Rynn, C. / Ruetz, S. / Stutz, S. / Chene, P. / Jeay, S. / Gessier, F.
External linksJ. Med. Chem. / PubMed:26181851
MethodsX-ray diffraction
Resolution1.67 - 1.8 Å
Structure data

PDB-4zyf:
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with NVP-CGM097
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4zyi:
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with cpd2
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

Chemicals

ChemComp-4T4:
(S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-4TH:
(S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / PPI WITH P53 / INHIBITOR COMPLEX

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