HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound EPE

Identifiers

  • Canonical SMILES: 
    OCCN1CCN(CC1)CC[S](O)(=O)=O
  • IUPAC name: 
    2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
  • InChi: 
    InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
  • InChiKey: 
    JKMHFZQWWAIEOD-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

23831 CHEMBL1232545 DB16872

RNA-SM complexes

PDB code Deposition date Reference publication
4e8r March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faq May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3n Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4e8t March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8v March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8p March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8m March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8k March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3s Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4e8k March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fau May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8q March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8k March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8k March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faq May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8v March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8q March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8n March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4far May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faq May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fb0 May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fax May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8m March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8v March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8p March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3r Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
6t3n Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4e8t March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8t March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8p March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3k Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4faq May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8m March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fau May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fb0 May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8p March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8m March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faq May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faw May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8r March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8r March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8k March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4far May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8v March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4far May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4faw May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8n March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3s Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4e8q March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8m March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fax May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8t March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8t March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3n Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4wfb 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
4fax May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4e8r March 20, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3r Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
6t3k Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4fb0 May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
4fau May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
6t3s Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
6t3k Oct. 11, 2019 Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. . Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
4fb0 May 22, 2012 Marcia Marco, Pyle Anna Marie. . Visualizing Group II Intron Catalysis through the Stages of Splicing Cell

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 238.10 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP -1.52
TPSA 81.08
RB 5

Radar chart