HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound ZLD

Identifiers

  • Canonical SMILES: 
    CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2
  • IUPAC name: 
    N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
  • InChi: 
    InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
  • InChiKey: 
    TYZROVQLWOKYKF-ZDUSSCGKSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

441401 CHEMBL126 DB00601

RNA-SM complexes

PDB code Deposition date Reference publication
3dll June 27, 2008 Wilson Daniel N., Schluenzen Frank, Harms Joerg M., Starosta Agata L., Connell Sean R., Fucini Paola. . The oxazolidinone antibiotics perturb the ribosomal peptidyl-transferase center and effect tRNA positioning Proceedings of the National Academy of Sciences
4wfa Sept. 14, 2014 Eyal Zohar, Matzov Donna, Krupkin Miri, Wekselman Itai, Paukner Susanne, Zimmerman Ella, Rozenberg Haim, Bashan Anat, Yonath Ada. . Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus Proceedings of the National Academy of Sciences
7s1h Sept. 2, 2021 Tsai Kaitlyn, Stojković Vanja, Lee D. John, Young Iris D., Szal Teresa, Klepacki Dorota, Vázquez-Laslop Nora, Mankin Alexander S., Fraser James S., Fujimori Danica Galonić. . Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 337.14 g/mol
HBA 5
HBD 1
HBA + HBD
AlogP 1.12
TPSA 71.11
RB 4

Radar chart