HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound 1PE

Identifiers

  • Canonical SMILES:
    OCCOCCOCCOCCOCCO
  • IUPAC name:
    3,6,9,12-tetraoxatetradecane-1,14-diol
  • InChi:
    InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
  • InChiKey:
    JLFNLZLINWHATN-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


62551

CHEMBL1229766

RNA-SM complexes

PDB code Deposition date Reference publication
3dil June 20, 2008 Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Structural insights into amino acid binding and gene control by a lysine riboswitch Nature
3dim June 20, 2008 Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Structural insights into amino acid binding and gene control by a lysine riboswitch Nature
3dio June 20, 2008 Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Structural insights into amino acid binding and gene control by a lysine riboswitch Nature
3diq June 20, 2008 Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Structural insights into amino acid binding and gene control by a lysine riboswitch Nature
4ybb Feb. 18, 2015 Noeske Jonas, Wasserman Michael R, Terry Daniel S, Altman Roger B, Blanchard Scott C, Cate Jamie H D. . High-resolution structure of the Escherichia coli ribosome Nature Structural & Molecular Biology
5it8 March 16, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5j5b April 1, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5j7l April 6, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5j88 April 7, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5j8a April 7, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5j91 April 8, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
5jc9 April 14, 2016 Cocozaki Alexis I., Altman Roger B., Huang Jian, Buurman Ed T., Kazmirski Steven L., Doig Peter, Prince D. Bryan, Blanchard Scott C., Cate Jamie H. D., Ferguson Andrew D.. . Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors Proceedings of the National Academy of Sciences
6i7v Nov. 19, 2018 Lilleorg Silva, Reier Kaspar, Pulk Arto, Liiv Aivar, Tammsalu Triin, Peil Lauri, Cate Jamie H.D., Remme Jaanus. . Bacterial ribosome heterogeneity: Changes in ribosomal protein composition during transition into stationary growth phase Biochimie

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 238.14 g/mol
HBA 6
HBD 2
HBA + HBD
AlogP -0.96
TPSA 77.38
RB 13

Radar chart