HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 1GC

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O3
  • IUPAC name: 
    2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
  • InChi: 
    InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
  • InChiKey: 
    JTBKCZGNQPBEJY-RRKCRQDMSA-N
  • SMARTS: 
    [#7]-[#6]1:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:2:[#6](=[#8]):[#7]:1)-[#6@H]1-[#6]-[#6@H](-[#8])-[#6@@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#6]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#8]-1

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

135566546 CHEMBL1162300

RNA-SM complexes

PDB code Deposition date Reference publication
9shy Aug. 28, 2025 Balch Sebastian, Franco-Echevarría Elsa, Ghanim George E., Kretsch Rachael C., Das Rhiju, Nguyen Thi Hoang Duong. . Structures of nucleotide-bound human telomerase at several steps of its telomeric DNA repeat addition cycle Nature Communications
9si0 Aug. 28, 2025 Balch Sebastian, Franco-Echevarría Elsa, Ghanim George E., Kretsch Rachael C., Das Rhiju, Nguyen Thi Hoang Duong. . Structures of nucleotide-bound human telomerase at several steps of its telomeric DNA repeat addition cycle Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 505.02 g/mol
HBA 11
HBD 7
HBA + HBD
AlogP -1.20
TPSA 269.64
RB 8

Radar chart