HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound B3P

Identifiers

  • Canonical SMILES: 
    OCC(CO)(CO)NCCCNC(CO)(CO)CO
  • IUPAC name: 
    2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]
  • InChi: 
    InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
  • InChiKey: 
    HHKZCCWKTZRCCL-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

125132 CHEMBL63859 DB02676

RNA-SM complexes

PDB code Deposition date Reference publication
7uoo April 13, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7uoo April 13, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7uqb April 19, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7uqb April 19, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7uqz April 20, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7uqz April 20, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7v08 May 10, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications
7v08 May 10, 2022 Sekulski Kamil, Cruz Victor Emmanuel, Weirich Christine S., Erzberger Jan P.. . rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 282.18 g/mol
HBA 8
HBD 8
HBA + HBD
AlogP -4.01
TPSA 145.44
RB 12

Radar chart