HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound LUM

Identifiers

  • Canonical SMILES: 
    Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
  • IUPAC name: 
    7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
  • InChi: 
    InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
  • InChiKey: 
    ZJTJUVIJVLLGSP-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5280456 CHEMBL1234101 DB04345

RNA-SM complexes

PDB code Deposition date Reference publication
9ebp Nov. 12, 2024 Spradlin Savannah F, Dickerson Kyle A, Batey Robert T. . Structural and functional clues challenge the hypothesis that the yjdF riboswitch is natively regulated through broad recognition of azaaromatic compounds Nucleic Acids Research
9ebp Nov. 12, 2024 Spradlin Savannah F, Dickerson Kyle A, Batey Robert T. . Structural and functional clues challenge the hypothesis that the yjdF riboswitch is natively regulated through broad recognition of azaaromatic compounds Nucleic Acids Research
9ebv Nov. 13, 2024 Spradlin Savannah F, Dickerson Kyle A, Batey Robert T. . Structural and functional clues challenge the hypothesis that the yjdF riboswitch is natively regulated through broad recognition of azaaromatic compounds Nucleic Acids Research
9ebv Nov. 13, 2024 Spradlin Savannah F, Dickerson Kyle A, Batey Robert T. . Structural and functional clues challenge the hypothesis that the yjdF riboswitch is natively regulated through broad recognition of azaaromatic compounds Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 242.08 g/mol
HBA 4
HBD 2
HBA + HBD
AlogP 0.78
TPSA 91.50
RB 0

Radar chart