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Structure paper

TitleSynthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 7578-7581, Year 2012
Publish dateAug 23, 2012 (structure data deposition date)
AuthorsVolkova, M.S. / Jensen, K.C. / Lozinskaya, N.A. / Sosonyuk, S.E. / Proskurnina, M.V. / Mesecar, A.D. / Zefirov, N.S.
External linksBioorg. Med. Chem. Lett. / PubMed:23131339
MethodsX-ray diffraction
Resolution1.948 - 2.291 Å
Structure data

PDB-4gqi:
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Method: X-RAY DIFFRACTION / Resolution: 1.948 Å

PDB-4gr9:
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Method: X-RAY DIFFRACTION / Resolution: 2.291 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-M49:
N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide

ChemComp-HOH:
WATER

ChemComp-372:
N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / melatonin analog

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