HARIBOSS

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

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

10074905

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. . 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. . 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. . 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. . 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. . 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. . 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