HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound DGP

Identifiers

  • Canonical SMILES:
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
  • IUPAC name:
    2'-deoxy-5'-guanylic acid
  • InChi:
    InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
  • InChiKey:
    LTFMZDNNPPEQNG-KVQBGUIXSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
3slm June 24, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology
3slm June 24, 2011 Pikovskaya Olga, Polonskaia Anna, Patel Dinshaw J, Serganov Alexander. . Structural principles of nucleoside selectivity in a 2′-deoxyguanosine riboswitch Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 347.06 g/mol
HBA 9
HBD 5
HBA + HBD
AlogP -1.54
TPSA 185.81
RB 4

Radar chart