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Harnessing RIBOnucleic acid - Small molecules Structures

Compound A1JQ4

Identifiers

  • Canonical SMILES: 
    CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@]1(C)[C@]24CO4
  • InChi: 
    InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1
  • InChiKey: 
    CSYVMZMEBKUDRQ-BNWDXEGFSA-N
  • SMARTS: 
    [#6]-[#6](=[#8])-[#8]-[#6@@H]1-[#6@@H](-[#8])-[#6@H]2-[#8]-[#6@@H]3-[#6]=[#6](-[#6])-[#6@@H](-[#8])-[#6]-[#6@]-3(-[#6]-[#8])-[#6@]-1(-[#6])-[#6@]-21-[#6]-[#8]-1

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PDB Logo A1JQ4

RNA-SM complexes

PDB code Deposition date Reference publication
29iw March 15, 2026 Schwaller Nino, Andenmatten Dominic, Luginbühl Jonas, Rabl Julius, Baur Helena, Chambon Marc, Vesin Jonathan, Turcatti Gerardo, Karousis Evangelos D.. 2026. A human cell-free translation screen identifies the NT-2 mycotoxin as a ribosomal inhibitor that binds the peptidyl transferase center Communications Biology
29ix March 15, 2026 Schwaller Nino, Andenmatten Dominic, Luginbühl Jonas, Rabl Julius, Baur Helena, Chambon Marc, Vesin Jonathan, Turcatti Gerardo, Karousis Evangelos D.. 2026. A human cell-free translation screen identifies the NT-2 mycotoxin as a ribosomal inhibitor that binds the peptidyl transferase center Communications Biology
29iz March 16, 2026 Schwaller Nino, Andenmatten Dominic, Luginbühl Jonas, Rabl Julius, Baur Helena, Chambon Marc, Vesin Jonathan, Turcatti Gerardo, Karousis Evangelos D.. 2026. A human cell-free translation screen identifies the NT-2 mycotoxin as a ribosomal inhibitor that binds the peptidyl transferase center Communications Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 340.15 g/mol
HBA 7
HBD 3
HBA + HBD
AlogP -0.48
TPSA 108.75
RB 2

Radar chart