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Harnessing RIBOnucleic acid - Small molecules Structures

Compound G6P

Identifiers

  • Canonical SMILES: 
    O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
  • IUPAC name: 
    6-O-phosphono-alpha-D-glucopyranose
  • InChi: 
    InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
  • InChiKey: 
    NBSCHQHZLSJFNQ-DVKNGEFBSA-N
  • SMARTS: 
    [#8]-[#6@H]1-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 439284 PDB Logo G6P DrugBank Logo DB02007

RNA-SM complexes

PDB code Deposition date Reference publication
2h0z May 15, 2006 Klein Daniel J., Ferré-D'Amaré Adrian R.. 2006. Structural Basis of glmS Ribozyme Activation by Glucosamine-6-Phosphate Science
2ho7 July 13, 2006 Klein Daniel J., Ferré-D'Amaré Adrian R.. 2006. Structural Basis of glmS Ribozyme Activation by Glucosamine-6-Phosphate Science
2z74 Aug. 15, 2007 Klein Daniel J., Wilkinson Sara R., Been Michael D., Ferré-D'Amaré Adrian R.. 2007. Requirement of Helix P2.2 and Nucleotide G1 for Positioning the Cleavage Site and Cofactor of the glmS Ribozyme Journal of Molecular Biology
3l3c Dec. 16, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. 2009. Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3l3c Dec. 16, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. 2009. Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3l3c Dec. 16, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. 2009. Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry
3l3c Dec. 16, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. 2009. 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 260.03 g/mol
HBA 7
HBD 6
HBA + HBD
AlogP -3.10
TPSA 156.91
RB 3

Radar chart