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Harnessing RIBOnucleic acid - Small molecules Structures

Compound ZAN

Identifiers

  • Canonical SMILES: 
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  • IUPAC name: 
    5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
  • InChi: 
    InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-29(19,20)15-30(21,22)28-31(23,24)25/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,23,24,25)(H3,15,19,20,21,22)/t4-,6-,7-,10-/m1/s1
  • InChiKey: 
    WUPFAKUEHUVIDK-KQYNXXCUSA-N
  • SMARTS: 
    [#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:1:2)-[#6@@H]1-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#7]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 10074905 PDB Logo ZAN

RNA-SM complexes

PDB code Deposition date Reference publication
7y7p June 22, 2022 Cui Ruixue, Li Hao, Zhao Jin, Li Xuhang, Gan Jianhua, Ma Jinbiao. 2022. Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1 Nucleic Acids Research
7y7p June 22, 2022 Cui Ruixue, Li Hao, Zhao Jin, Li Xuhang, Gan Jianhua, Ma Jinbiao. 2022. Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1 Nucleic Acids Research
7y7s June 22, 2022 Cui Ruixue, Li Hao, Zhao Jin, Li Xuhang, Gan Jianhua, Ma Jinbiao. 2022. Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1 Nucleic Acids Research
7y7s June 22, 2022 Cui Ruixue, Li Hao, Zhao Jin, Li Xuhang, Gan Jianhua, Ma Jinbiao. 2022. Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1 Nucleic Acids Research
9pfr July 6, 2025 Cao Dongdong, Chen Zhenhang, Gao Yunrong, Roesler Claire, Gooneratne Inesh, Mera Cristopher, Zhuang Lisa, Slack Julia, Nudell-Cook Elijah, Vy Jenny, Berry Jasmine, Royal Maurice, Shaik Masthan, Youngs Ryan, Liang Bo. 2026. Orchestrated and dynamic nucleotide addition cycle during respiratory syncytial virus early-stage elongation Nature Communications
9pfs July 6, 2025 Cao Dongdong, Chen Zhenhang, Gao Yunrong, Roesler Claire, Gooneratne Inesh, Mera Cristopher, Zhuang Lisa, Slack Julia, Nudell-Cook Elijah, Vy Jenny, Berry Jasmine, Royal Maurice, Shaik Masthan, Youngs Ryan, Liang Bo. 2026. Orchestrated and dynamic nucleotide addition cycle during respiratory syncytial virus early-stage elongation Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 506.01 g/mol
HBA 12
HBD 8
HBA + HBD
AlogP -2.06
TPSA 281.93
RB 8

Radar chart