HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GNG

Identifiers

  • Canonical SMILES: 
    NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
  • IUPAC name: 
    2'-deoxyguanosine
  • InChi: 
    InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
  • InChiKey: 
    YKBGVTZYEHREMT-KVQBGUIXSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

135398592 CHEMBL68908

RNA-SM complexes

PDB code Deposition date Reference publication
3ds7 July 11, 2008 Edwards Andrea L., Batey Robert T.. . A Structural Basis for the Recognition of 2′-Deoxyguanosine by the Purine Riboswitch Journal of Molecular Biology
3ds7 July 11, 2008 Edwards Andrea L., Batey Robert T.. . A Structural Basis for the Recognition of 2′-Deoxyguanosine by the Purine Riboswitch Journal of Molecular Biology
3ski June 22, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3ski June 22, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skl June 22, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skl June 22, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skr June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skr June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skt June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skt June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skw June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3skw June 23, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
6p2h May 21, 2019 Matyjasik Michal M, Batey Robert T. . Structural basis for 2′-deoxyguanosine recognition by the 2′-dG-II class of riboswitches Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 267.10 g/mol
HBA 8
HBD 4
HBA + HBD
AlogP -1.66
TPSA 139.28
RB 2

Radar chart