HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound G4P

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O[P@@](O)(=O)O[P](O)(O)=O)[C@H]3O
  • IUPAC name: 
    guanosine 3',5'-bis(trihydrogen diphosphate)
  • InChi: 
    InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
  • InChiKey: 
    BUFLLCUFNHESEH-UUOKFMHZSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

135398637 DB04022

RNA-SM complexes

PDB code Deposition date Reference publication
6ck4 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
6ck4 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
6ck4 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
6ck4 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
6dmc June 4, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmc June 4, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmd June 5, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmd June 5, 2018 Peselis Alla, Serganov Alexander. . ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dme June 5, 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 602.96 g/mol
HBA 15
HBD 9
HBA + HBD
AlogP -2.22
TPSA 345.63
RB 10

Radar chart