HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 5GP

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-guanylic acid
  • InChi: 
    InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
  • InChiKey: 
    RQFCJASXJCIDSX-UUOKFMHZSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5280325 CHEMBL283807 DB01972

RNA-SM complexes

PDB code Deposition date Reference publication
3slq 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
3slq 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
5dhb Aug. 30, 2015 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
5dhb Aug. 30, 2015 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
5dhb Aug. 30, 2015 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
5dhb Aug. 30, 2015 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
5l00 July 26, 2016 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
5l00 July 26, 2016 Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. . Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
6n5s Nov. 22, 2018
7tql Jan. 26, 2022 Lapointe Christopher P., Grosely Rosslyn, Sokabe Masaaki, Alvarado Carlos, Wang Jinfan, Montabana Elizabeth, Villa Nancy, Shin Byung-Sik, Dever Thomas E., Fraser Christopher S., Fernández Israel S., Puglisi Joseph D.. . eIF5B and eIF1A reorient initiator tRNA to allow ribosomal subunit joining Nature
8sx6 May 19, 2023 Dantsu Yuliya, Zhang Ying, Zhang Wen. . Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand RSC Chemical Biology
9mqs Jan. 6, 2025 Liu Tianshuo, Xu Ling, Chung Kevin, Sisto Luke J., Hwang Jimin, Zhang Chengxin, Van Zandt Michael C., Pyle Anna Marie. . Molecular insights into de novo small-molecule recognition by an intron RNA structure Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 363.06 g/mol
HBA 10
HBD 6
HBA + HBD
AlogP -2.57
TPSA 206.04
RB 4

Radar chart