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TitleDesign and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 2005-2011, Year 2011
Publish dateAug 27, 2010 (structure data deposition date)
Authorsvan Otterlo, W.A. / Rose, R. / Fuchs, S. / Zimmermann, T.J. / Dominguez Seoane, M. / Waldmann, H. / Ottmann, C. / Brunsveld, L.
External linksJ. Med. Chem. / PubMed:21381753
MethodsX-ray diffraction
Resolution1.97 - 2.21 Å
Structure data

PDB-3omo:
Fragment-Based Design of novel Estrogen Receptor Ligands
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-3omp:
Fragment-Based Design of novel Estrogen Receptor Ligands
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3omq:
Fragment-Based Design of novel Estrogen Receptor Ligands
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-WV7:
2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

ChemComp-HOH:
WATER

ChemComp-W14:
2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

ChemComp-W23:
2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Steroid binding

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