HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GLP

Identifiers

  • Canonical SMILES: 
    N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
  • IUPAC name: 
    2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
  • InChi: 
    InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
  • InChiKey: 
    XHMJOUIAFHJHBW-UKFBFLRUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

439217 DB02657

RNA-SM complexes

PDB code Deposition date Reference publication
2nz4 Nov. 22, 2006 Cochrane Jesse C., Lipchock Sarah V., Strobel Scott A.. . Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor Chemistry & Biology
2nz4 Nov. 22, 2006 Cochrane Jesse C., Lipchock Sarah V., Strobel Scott A.. . Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor Chemistry & Biology
2nz4 Nov. 22, 2006 Cochrane Jesse C., Lipchock Sarah V., Strobel Scott A.. . Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor Chemistry & Biology
2nz4 Nov. 22, 2006 Cochrane Jesse C., Lipchock Sarah V., Strobel Scott A.. . Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor Chemistry & Biology
3b4a Oct. 23, 2007 Klein Daniel J., Been Michael D., Ferré-D'Amaré Adrian R.. . Essential Role of an Active-Site Guanine in glmS Ribozyme Catalysis Journal of the American Chemical Society
3b4b Oct. 23, 2007 Klein Daniel J., Been Michael D., Ferré-D'Amaré Adrian R.. . Essential Role of an Active-Site Guanine in glmS Ribozyme Catalysis Journal of the American Chemical Society
3b4c Oct. 23, 2007 Klein Daniel J., Been Michael D., Ferré-D'Amaré Adrian R.. . Essential Role of an Active-Site Guanine in glmS Ribozyme Catalysis Journal of the American Chemical Society
3g8t Feb. 12, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3g8t Feb. 12, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3g8t Feb. 12, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3g8t Feb. 12, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3g9c Feb. 13, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 259.05 g/mol
HBA 7
HBD 6
HBA + HBD
AlogP -3.14
TPSA 162.70
RB 3

Radar chart