HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PRP

Identifiers

  • Canonical SMILES:
    O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
  • IUPAC name:
    1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
  • InChi:
    InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
  • InChiKey:
    PQGCEDQWHSBAJP-TXICZTDVSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
6ck5 Feb. 27, 2018 Knappenberger Andrew John, Reiss Caroline Wetherington, Strobel Scott A. . Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA eLife
6ck5 Feb. 27, 2018 Knappenberger Andrew John, Reiss Caroline Wetherington, Strobel Scott A. . Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA eLife
6dlq June 2, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dlr June 2, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dls June 2, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dlt June 2, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 389.95 g/mol
HBA 9
HBD 7
HBA + HBD
AlogP -2.23
TPSA 229.74
RB 7

Radar chart