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
3hax May 3, 2009 Duan Jingqi, Li Ling, Lu Jing, Wang Wei, Ye Keqiong. . Structural Mechanism of Substrate RNA Recruitment in H/ACA RNA-Guided Pseudouridine Synthase Molecular Cell
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
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
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
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
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
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
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
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
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
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
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
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
5vw1 May 21, 2017 Yang Hui, Patel Dinshaw J.. . Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9 Molecular Cell
6dtd June 15, 2018 Slaymaker Ian M., Mesa Pablo, Kellner Max J., Kannan Soumya, Brignole Edward, Koob Jeremy, Feliciano Patricia R., Stella Stefano, Abudayyeh Omar O., Gootenberg Jonathan S., Strecker Jonathan, Montoya Guillermo, Zhang Feng. . High-Resolution Structure of Cas13b and Biochemical Characterization of RNA Targeting and Cleavage Cell Reports
6dtd June 15, 2018 Slaymaker Ian M., Mesa Pablo, Kellner Max J., Kannan Soumya, Brignole Edward, Koob Jeremy, Feliciano Patricia R., Stella Stefano, Abudayyeh Omar O., Gootenberg Jonathan S., Strecker Jonathan, Montoya Guillermo, Zhang Feng. . High-Resolution Structure of Cas13b and Biochemical Characterization of RNA Targeting and Cleavage Cell Reports
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
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
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 194.23 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart