HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound EQ4

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)n4ccnc4N)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
  • InChi: 
    InChI=1S/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)/t5-,7-,8-,11-/m1/s1
  • InChiKey: 
    UJFHHYLHXPKINK-IOSLPCCCSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

134129108

RNA-SM complexes

PDB code Deposition date Reference publication
6c8o Jan. 25, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
6c8o Jan. 25, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
6u6j Aug. 29, 2019 Wright Tom H., Giurgiu Constantin, Zhang Wen, Radakovic Aleksandar, O’Flaherty Derek K., Zhou Lijun, Szostak Jack W.. . Prebiotically Plausible “Patching” of RNA Backbone Cleavage through a 3′–5′ Pyrophosphate Linkage Journal of the American Chemical Society
6u6j Aug. 29, 2019 Wright Tom H., Giurgiu Constantin, Zhang Wen, Radakovic Aleksandar, O’Flaherty Derek K., Zhou Lijun, Szostak Jack W.. . Prebiotically Plausible “Patching” of RNA Backbone Cleavage through a 3′–5′ Pyrophosphate Linkage Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 428.10 g/mol
HBA 13
HBD 6
HBA + HBD
AlogP -2.24
TPSA 229.65
RB 5

Radar chart