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Harnessing RIBOnucleic acid - Small molecules Structures

Compound GH3

Identifiers

  • Canonical SMILES: 
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)C[C@H]3O
  • IUPAC name: 
    3'-deoxyguanosine 5'-(tetrahydrogen triphosphate)
  • InChi: 
    InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
  • InChiKey: 
    QGYIFQKZZSSUCR-OBXARNEKSA-N
  • SMARTS: 
    [#7]-[#6]1:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:2:[#6](=[#8]):[#7]:1)-[#6@@H]1-[#8]-[#6@H](-[#6]-[#8]-[#15@@](-[#8])(=[#8])-[#8]-[#15@@](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6]-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 135434165 ChEMBL Logo CHEMBL480707 PDB Logo GH3

RNA-SM complexes

PDB code Deposition date Reference publication
1n1h Oct. 17, 2002 Tao Yizhi, Farsetta Diane L., Nibert Max L., Harrison Stephen C.. 2002. RNA Synthesis in a Cage—Structural Studies of Reovirus Polymerase λ3 Cell
3avt March 8, 2011 Takeshita Daijiro, Tomita Kozo. 2012. Molecular basis for RNA polymerization by Qβ replicase Nature Structural & Molecular Biology
3avt March 8, 2011 Takeshita Daijiro, Tomita Kozo. 2012. Molecular basis for RNA polymerization by Qβ replicase Nature Structural & Molecular Biology
3avw March 8, 2011 Takeshita Daijiro, Tomita Kozo. 2012. Molecular basis for RNA polymerization by Qβ replicase Nature Structural & Molecular Biology
3avx March 8, 2011 Takeshita Daijiro, Tomita Kozo. 2012. Molecular basis for RNA polymerization by Qβ replicase Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 507.00 g/mol
HBA 12
HBD 7
HBA + HBD
AlogP -1.31
TPSA 278.87
RB 8

Radar chart