HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound VSN

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine
  • InChi: 
    InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
  • InChiKey: 
    QJXJXBXFIOTYHB-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])=[#16])-[#6@@H](-[#8])-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 6858270 PDB Logo VSN

RNA-SM complexes

PDB code Deposition date Reference publication
8sqj May 4, 2023 Small Gabriel I., Fedorova Olga, Olinares Paul Dominic B., Chandanani Joshua, Banerjee Anoosha, Choi Young Joo, Molina Henrik, Chait Brian T., Darst Seth A., Campbell Elizabeth A.. 2023. Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain Molecular Cell
8sqk May 4, 2023 Small Gabriel I., Fedorova Olga, Olinares Paul Dominic B., Chandanani Joshua, Banerjee Anoosha, Choi Young Joo, Molina Henrik, Chait Brian T., Darst Seth A., Campbell Elizabeth A.. 2023. Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain Molecular Cell
8sqk May 4, 2023 Small Gabriel I., Fedorova Olga, Olinares Paul Dominic B., Chandanani Joshua, Banerjee Anoosha, Choi Young Joo, Molina Henrik, Chait Brian T., Darst Seth A., Campbell Elizabeth A.. 2023. Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain Molecular Cell

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 459.00 g/mol
HBA 11
HBD 7
HBA + HBD
AlogP -2.34
TPSA 235.50
RB 6

Radar chart