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TitleInnovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Journal, issue, pagesEur. J. Med. Chem., Vol. 220, Page 113496-113496, Year 2021
Publish dateMar 4, 2021 (structure data deposition date)
AuthorsPaquin, A. / Oufqir, Y. / Sevrioukova, I.F. / Reyes-Moreno, C. / Berube, G.
External linksEur. J. Med. Chem. / PubMed:33933755
MethodsX-ray diffraction
Resolution2.75 Å
Structure data

PDB-7lxl:
Crystal structure of human CYP3A4 bound to the testosterone dimer
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-YNV:
17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP3A4 / ligand / testosterone dimer / complex

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