HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound XG4

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O3
  • IUPAC name: 
    2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine
  • InChi: 
    InChI=1S/C10H17N6O12P3/c11-10-13-8-7(9(18)14-10)12-3-16(8)6-1-4(17)5(27-6)2-26-29(19,20)15-30(21,22)28-31(23,24)25/h3-6,17H,1-2H2,(H2,23,24,25)(H3,11,13,14,18)(H3,15,19,20,21,22)/t4-,5+,6+/m0/s1
  • InChiKey: 
    DWGAAFQEGIMTIA-KVQBGUIXSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

135499669

RNA-SM complexes

PDB code Deposition date Reference publication
8e85 Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e86 Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e87 Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e88 Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8j Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8k Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. . Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
9q16 Aug. 13, 2025
9q17 Aug. 13, 2025

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 506.01 g/mol
HBA 11
HBD 8
HBA + HBD
AlogP -1.73
TPSA 281.67
RB 8

Radar chart