HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound AMZ

Identifiers

  • Canonical SMILES: 
    NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N
  • IUPAC name: 
    5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
  • InChi: 
    InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
  • InChiKey: 
    NOTGFIUVDGNKRI-UUOKFMHZSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

65110 CHEMBL483849 DB01700

RNA-SM complexes

PDB code Deposition date Reference publication
4xw7 Jan. 28, 2015 Trausch Jeremiah J., Marcano-Velázquez Joan G., Matyjasik Michal M., Batey Robert T.. . Metal Ion-Mediated Nucleobase Recognition by the ZTP Riboswitch Chemistry & Biology
4xwf Jan. 28, 2015 Trausch Jeremiah J., Marcano-Velázquez Joan G., Matyjasik Michal M., Batey Robert T.. . Metal Ion-Mediated Nucleobase Recognition by the ZTP Riboswitch Chemistry & Biology
4znp May 5, 2015 Ren Aiming, Rajashankar Kanagalaghatta R., Patel Dinshaw J.. . Global RNA Fold and Molecular Recognition for a pfl Riboswitch Bound to ZMP, a Master Regulator of One-Carbon Metabolism Structure
4znp May 5, 2015 Ren Aiming, Rajashankar Kanagalaghatta R., Patel Dinshaw J.. . Global RNA Fold and Molecular Recognition for a pfl Riboswitch Bound to ZMP, a Master Regulator of One-Carbon Metabolism Structure
5btp June 3, 2015 Jones Christopher P, Ferré-D'Amaré Adrian R. . Recognition of the bacterial alarmone ZMP through long-distance association of two RNA subdomains Nature Structural & Molecular Biology
5btp June 3, 2015 Jones Christopher P, Ferré-D'Amaré Adrian R. . Recognition of the bacterial alarmone ZMP through long-distance association of two RNA subdomains Nature Structural & Molecular Biology
6od9 March 26, 2019 Jones Christopher, Tran Brandon, Conrad Chelsie, Stagno Jason, Trachman Robert, Fischer Pontus, Meents Alke, Ferré-D'Amaré Adrian. . Co-crystal structure of the Fusobacterium ulcerans ZTP riboswitch using an X-ray free-electron laser Acta Crystallographica Section F Structural Biology Communications
6od9 March 26, 2019 Jones Christopher, Tran Brandon, Conrad Chelsie, Stagno Jason, Trachman Robert, Fischer Pontus, Meents Alke, Ferré-D'Amaré Adrian. . Co-crystal structure of the Fusobacterium ulcerans ZTP riboswitch using an X-ray free-electron laser Acta Crystallographica Section F Structural Biology Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 338.06 g/mol
HBA 9
HBD 6
HBA + HBD
AlogP -2.71
TPSA 203.38
RB 5

Radar chart