HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound BDG

Identifiers

  • Canonical SMILES: 
    NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
  • IUPAC name: 
    2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
  • InChi: 
    InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1
  • InChiKey: 
    SQTHUUHOUPJYLK-UKFBFLRUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

447575

RNA-SM complexes

PDB code Deposition date Reference publication
1o9m Dec. 17, 2002 Russell Rupert J. M., Murray James B., Lentzen Georg, Haddad Jalal, Mobashery Shahriar. . The Complex of a Designer Antibiotic with a Model Aminoacyl Site of the 30S Ribosomal Subunit Revealed by X-ray Crystallography Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 178.10 g/mol
HBA 6
HBD 5
HBA + HBD
AlogP -3.29
TPSA 121.96
RB 1

Radar chart