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TitleDiscovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 3794-3805, Year 2015
Publish dateApr 14, 2015 (structure data deposition date)
AuthorsBurke, J.P. / Bian, Z. / Shaw, S. / Zhao, B. / Goodwin, C.M. / Belmar, J. / Browning, C.F. / Vigil, D. / Friberg, A. / Camper, D.V. ...Burke, J.P. / Bian, Z. / Shaw, S. / Zhao, B. / Goodwin, C.M. / Belmar, J. / Browning, C.F. / Vigil, D. / Friberg, A. / Camper, D.V. / Rossanese, O.W. / Lee, T. / Olejniczak, E.T. / Fesik, S.W.
External linksJ. Med. Chem. / PubMed:25844895
MethodsX-ray diffraction
Resolution2.2 - 2.5 Å
Structure data

PDB-4zbf:
Mcl-1 complexed with small molecules
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4zbi:
Mcl-1 complexed with small molecules
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-4M7:
(1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide

ChemComp-HOH:
WATER

ChemComp-4M6:
1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid

Source
  • homo sapiens (human)
Keywordsapoptosis/apoptosis inhibitor / Inhibitor / Complex / apoptosis-apoptosis inhibitor complex

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