HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound U5P

Identifiers

  • Canonical SMILES: 
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
  • IUPAC name: 
    5'-uridylic acid
  • InChi: 
    InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
  • InChiKey: 
    DJJCXFVJDGTHFX-XVFCMESISA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

6030 CHEMBL214393 DB03685

RNA-SM complexes

PDB code Deposition date Reference publication
1a34 Jan. 28, 1998 Larson Steven B, Day John, Greenwood Aaron, McPherson Alexander. . Refined structure of satellite tobacco mosaic virus at 1.8 Å resolution Journal of Molecular Biology
7tuv Feb. 3, 2022 Cesaro Giovanna, da Soler Heloisa Tramontin, Guerra-Slompo Eloise Pavão, Haouz Ahmed, Legrand Pierre, Zanchin Nilson Ivo Tonin, Guimaraes Beatriz Gomes. . Trypanosoma brucei RRP44: a versatile enzyme for processing structured and non-structured RNA substrates Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 324.04 g/mol
HBA 7
HBD 5
HBA + HBD
AlogP -2.74
TPSA 171.31
RB 4

Radar chart