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TitleDiscovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 10147-10162, Year 2016
Publish dateJun 15, 2016 (structure data deposition date)
AuthorsGollner, A. / Rudolph, D. / Arnhof, H. / Bauer, M. / Blake, S.M. / Boehmelt, G. / Cockroft, X.L. / Dahmann, G. / Ettmayer, P. / Gerstberger, T. ...Gollner, A. / Rudolph, D. / Arnhof, H. / Bauer, M. / Blake, S.M. / Boehmelt, G. / Cockroft, X.L. / Dahmann, G. / Ettmayer, P. / Gerstberger, T. / Karolyi-Oezguer, J. / Kessler, D. / Kofink, C. / Ramharter, J. / Rinnenthal, J. / Savchenko, A. / Schnitzer, R. / Weinstabl, H. / Weyer-Czernilofsky, U. / Wunberg, T. / McConnell, D.B.
External linksJ. Med. Chem. / PubMed:27775892
MethodsX-ray diffraction
Resolution1.64 - 2.71 Å
Structure data

PDB-5lav:
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-5law:
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5lay:
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
Method: X-RAY DIFFRACTION / Resolution: 2.71 Å

PDB-5laz:
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

Chemicals

ChemComp-6SK:
(3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-HOH:
WATER / Water

ChemComp-6SJ:
2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-6SS:
(3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one

ChemComp-6ST:
4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid

ChemComp-ZN:
Unknown entry

Source
  • homo sapiens (human)
KeywordsLIGASE / VIENNA / PPI / MDM2 / HDM2 / BI

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