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TitleFree-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 10652-, Year 2012
Publish dateSep 20, 2012 (structure data deposition date)
AuthorsGoldberg, F.W. / Leach, A.G. / Scott, J.S. / Snelson, W.L. / Groombridge, S.D. / Donald, C.S. / Bennett, S.N.L. / Bodin, C. / Morentin Gutierrez, P. / Gyte, A.C.
External linksJ. Med. Chem. / PubMed:23153367
MethodsX-ray diffraction
Resolution2.2 - 2.55 Å
Structure data

PDB-4bb5:
Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4bb6:
Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HD2:
4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-HD1:
6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / BHSD

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