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Harnessing RIBOnucleic acid - Small molecules Structures

Compound ADN

Identifiers

  • Canonical SMILES: 
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
  • IUPAC name: 
    adenosine
  • InChi: 
    InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
  • InChiKey: 
    OIRDTQYFTABQOQ-KQYNXXCUSA-N
  • SMARTS: 
    [#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:1:2)-[#6@@H]1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 60961 ChEMBL Logo CHEMBL477 PDB Logo ADN DrugBank Logo DB00640

RNA-SM complexes

PDB code Deposition date Reference publication
4o8j Dec. 27, 2013 Desai Kevin K., Bingman Craig A., Cheng Chin L., Phillips George N., Raines Ronald T.. 2014. Structure of RNA 3′-phosphate cyclase bound to substrate RNA RNA
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research
6ymj April 8, 2020 Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. 2020. Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 267.10 g/mol
HBA 8
HBD 4
HBA + HBD
AlogP -1.98
TPSA 139.54
RB 2

Radar chart