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
8vaw Dec. 11, 2023 Fang Ziyuan, Pazienza Lydia T., Zhang Jian, Tam Chun Pong, Szostak Jack W.. . Catalytic Metal Ion–Substrate Coordination during Nonenzymatic RNA Primer Extension Journal of the American Chemical Society
8vaw Dec. 11, 2023 Fang Ziyuan, Pazienza Lydia T., Zhang Jian, Tam Chun Pong, Szostak Jack W.. . Catalytic Metal Ion–Substrate Coordination during Nonenzymatic RNA Primer Extension Journal of the American Chemical Society
8vax Dec. 11, 2023 Fang Ziyuan, Pazienza Lydia T., Zhang Jian, Tam Chun Pong, Szostak Jack W.. . Catalytic Metal Ion–Substrate Coordination during Nonenzymatic RNA Primer Extension Journal of the American Chemical Society
8vax Dec. 11, 2023 Fang Ziyuan, Pazienza Lydia T., Zhang Jian, Tam Chun Pong, Szostak Jack W.. . Catalytic Metal Ion–Substrate Coordination during Nonenzymatic RNA Primer Extension Journal of the American Chemical Society

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