HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound AMP

Identifiers

  • Canonical SMILES: 
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-adenylic acid
  • InChi: 
    InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
  • InChiKey: 
    UDMBCSSLTHHNCD-KQYNXXCUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

6083 CHEMBL752 DB00131

RNA-SM complexes

PDB code Deposition date Reference publication
1am0 June 19, 1997 Jiang Feng, Kumar R. Ajay, Jones Roger A., Patel Dinshaw J.. . Structural basis of RNA folding and recognition in an AMP–RNA aptamer complex Nature
1raw July 17, 1996
6tb7 Nov. 1, 2019 Huang Lin, Wang Jia, Lilley David M.J.. . Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch RNA
6ymi April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. . Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymi April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. . Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymi April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. . Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
8sx6 May 19, 2023
8sxl May 22, 2023

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 347.06 g/mol
HBA 10
HBD 5
HBA + HBD
AlogP -1.86
TPSA 186.07
RB 4

Radar chart