HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PG4

Identifiers

  • Canonical SMILES: 
    OCCOCCOCCOCCO
  • IUPAC name: 
    2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol
  • InChi: 
    InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
  • InChiKey: 
    UWHCKJMYHZGTIT-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

8200 CHEMBL1235254

RNA-SM complexes

PDB code Deposition date Reference publication
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
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
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
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
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
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
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
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
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
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
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
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
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
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
8f4o Nov. 11, 2022 Lee Hyun Kyung, Lee Yun-Tzai, Fan Lixin, Wilt Haley M., Conrad Chelsie E., Yu Ping, Zhang Jinwei, Shi Genbin, Ji Xinhua, Wang Yun-Xing, Stagno Jason R.. . Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state Structure

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 194.12 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP -0.98
TPSA 68.15
RB 10

Radar chart