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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
  • SMARTS: 
    [#7]-[#6]1:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:2:[#6](=[#8]):[#7]:1)-[#6@@H]1-[#8]-[#6@H](-[#6]-[#8]-[#15@@](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8]-[#15@@](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 135398637 PDB Logo G4P DrugBank Logo DB04022

RNA-SM complexes

PDB code Deposition date Reference publication
6ck4 Feb. 27, 2018 Knappenberger Andrew John, Reiss Caroline Wetherington, Strobel Scott A. 2018. 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. 2018. 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. 2018. 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. 2018. 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. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmc June 4, 2018 Peselis Alla, Serganov Alexander. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmd June 5, 2018 Peselis Alla, Serganov Alexander. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dmd June 5, 2018 Peselis Alla, Serganov Alexander. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
6dme June 5, 2018 Peselis Alla, Serganov Alexander. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
8fzf Jan. 28, 2023 Li Li, Rybak Mariia Yu., Lin Jinzhong, Gagnon Matthieu G.. 2024. The ribosome termination complex remodels release factor RF3 and ejects GDP Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 602.96 g/mol
HBA 14
HBD 9
HBA + HBD
AlogP -2.22
TPSA 345.63
RB 10

Radar chart