HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound DTP

Identifiers

  • Canonical SMILES: 
    Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
  • IUPAC name: 
    2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
  • InChi: 
    InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
  • InChiKey: 
    SUYVUBYJARFZHO-RRKCRQDMSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

15993 CHEMBL335538 DB03222

RNA-SM complexes

PDB code Deposition date Reference publication
4pqu March 4, 2014 Das Kalyan, Martinez Sergio E., Bandwar Rajiv P., Arnold Eddy. . Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage Nucleic Acids Research
4pqu March 4, 2014 Das Kalyan, Martinez Sergio E., Bandwar Rajiv P., Arnold Eddy. . Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage Nucleic Acids Research
6ar1 Aug. 21, 2017 Stamos Jennifer L., Lentzsch Alfred M., Lambowitz Alan M.. . Structure of a Thermostable Group II Intron Reverse Transcriptase with Template-Primer and Its Functional and Evolutionary Implications Molecular Cell
6ar1 Aug. 21, 2017 Stamos Jennifer L., Lentzsch Alfred M., Lambowitz Alan M.. . Structure of a Thermostable Group II Intron Reverse Transcriptase with Template-Primer and Its Functional and Evolutionary Implications Molecular Cell
6ar3 Aug. 21, 2017 Stamos Jennifer L., Lentzsch Alfred M., Lambowitz Alan M.. . Structure of a Thermostable Group II Intron Reverse Transcriptase with Template-Primer and Its Functional and Evolutionary Implications Molecular Cell
6ar3 Aug. 21, 2017 Stamos Jennifer L., Lentzsch Alfred M., Lambowitz Alan M.. . Structure of a Thermostable Group II Intron Reverse Transcriptase with Template-Primer and Its Functional and Evolutionary Implications Molecular Cell
7k9y Sept. 29, 2020 Lentzsch Alfred M., Stamos Jennifer L., Yao Jun, Russell Rick, Lambowitz Alan M.. . Structural basis for template switching by a group II intron–encoded non-LTR-retroelement reverse transcriptase Journal of Biological Chemistry
7k9y Sept. 29, 2020 Lentzsch Alfred M., Stamos Jennifer L., Yao Jun, Russell Rick, Lambowitz Alan M.. . Structural basis for template switching by a group II intron–encoded non-LTR-retroelement reverse transcriptase Journal of Biological Chemistry
7m89 March 29, 2021 Gregory Mark T., Gao Yang, Cui Qiang, Yang Wei. . Multiple deprotonation paths of the nucleophile 3′-OH in the DNA synthesis reaction Proceedings of the National Academy of Sciences
7m8a March 29, 2021 Gregory Mark T., Gao Yang, Cui Qiang, Yang Wei. . Multiple deprotonation paths of the nucleophile 3′-OH in the DNA synthesis reaction Proceedings of the National Academy of Sciences
7m8b March 29, 2021 Gregory Mark T., Gao Yang, Cui Qiang, Yang Wei. . Multiple deprotonation paths of the nucleophile 3′-OH in the DNA synthesis reaction Proceedings of the National Academy of Sciences
7m8c March 29, 2021 Gregory Mark T., Gao Yang, Cui Qiang, Yang Wei. . Multiple deprotonation paths of the nucleophile 3′-OH in the DNA synthesis reaction Proceedings of the National Academy of Sciences
7m8d March 29, 2021 Gregory Mark T., Gao Yang, Cui Qiang, Yang Wei. . Multiple deprotonation paths of the nucleophile 3′-OH in the DNA synthesis reaction Proceedings of the National Academy of Sciences
9k6h Oct. 22, 2024 Jin Wenxing, Yu Cong, Zhang Yan, Cao Changchang, Xia Tianfan, Song Ge, Cai Zhaokui, Xue Yuanchao, Zhu Bing, Xu Rui-Ming. . Mechanism of DNA targeting by human LINE-1 Science
9vma June 27, 2025 Han Jie, Liu Bin, Tang Jingjing, Zhang Shuqin, Wang Xiaoshen, Li Xuzichao, Zhang Qian, Liu Zhikun, Wang Wanyao, Liu Yingcan, Zhou Ruimin, Yin Hang, Wei Yong, Li Zhuang, Zhang Minjie, Deng Zengqin, Zhang Heng. . Non-coding RNA mediates the defense-associated reverse transcriptase (DRT) anti-phage oligomerization transition The EMBO Journal

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 491.00 g/mol
HBA 12
HBD 6
HBA + HBD
AlogP -0.60
TPSA 258.90
RB 8

Radar chart