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

135398631 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
7tql Jan. 26, 2022

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