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

135398597 CHEMBL477487 DB04457

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
6c8d Jan. 24, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
6c8d Jan. 24, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
6c8d Jan. 24, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
6c8d Jan. 24, 2018 Zhang Wen, Walton Travis, Li Li, Szostak Jack W. . Crystallographic observation of nonenzymatic RNA primer extension eLife
8sy6 May 24, 2023 Oh Juntaek, Shan Zelin, Hoshika Shuichi, Xu Jun, Chong Jenny, Benner Steven A., Lyumkis Dmitry, Wang Dong. . A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase Nature Communications
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 347.22 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart