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
2z75 Aug. 15, 2007 Klein Daniel J., Wilkinson Sara R., Been Michael D., Ferré-D'Amaré Adrian R.. . Requirement of Helix P2.2 and Nucleotide G1 for Positioning the Cleavage Site and Cofactor of the glmS Ribozyme Journal of Molecular 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