HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound LXI

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](S)(=O)n4ccnc4N)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine
  • InChi: 
    InChI=1S/C13H17N8O6PS/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(27-11)3-26-28(25,29)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,29)(H3,14,18,19,24)/t5-,7-,8-,11-,28-/m1/s1
  • InChiKey: 
    KURJQYGWAXZKPO-RMPAVHDKSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

RNA-SM complexes

PDB code Deposition date Reference publication
7u87 March 8, 2022 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
7u87 March 8, 2022 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
7u88 March 8, 2022 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
7u88 March 8, 2022 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
7u89 March 8, 2022 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
7u89 March 8, 2022 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
7u8a March 8, 2022 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
7u8a March 8, 2022 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 444.07 g/mol
HBA 13
HBD 6
HBA + HBD
AlogP -1.30
TPSA 209.42
RB 5

Radar chart