HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound TAM

Identifiers

  • Canonical SMILES: 
    NC(CCO)(CCO)CCO
  • IUPAC name: 
    3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
  • InChi: 
    InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2
  • InChiKey: 
    GKODZWOPPOTFGA-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

448009 DB04237

RNA-SM complexes

PDB code Deposition date Reference publication
6bsh Dec. 3, 2017 Tian Lan, Kim Min-Sung, Li Hongzhi, Wang Jimin, Yang Wei. . Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid Proceedings of the National Academy of Sciences
6bsj Dec. 3, 2017 Tian Lan, Kim Min-Sung, Li Hongzhi, Wang Jimin, Yang Wei. . Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid Proceedings of the National Academy of Sciences
9did Sept. 5, 2024 Jones Christopher P., Ferré-D’Amaré Adrian R.. . Structural switching dynamically controls the doubly pseudoknotted Rous sarcoma virus–programmed ribosomal frameshifting element Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 163.12 g/mol
HBA 4
HBD 4
HBA + HBD
AlogP -1.17
TPSA 86.71
RB 6

Radar chart