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Harnessing RIBOnucleic acid - Small molecules Structures

Compound DGT

Identifiers

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

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 5280333 ChEMBL Logo CHEMBL477486 PDB Logo DGT DrugBank Logo DB02181

RNA-SM complexes

PDB code Deposition date Reference publication
7kqn Nov. 17, 2020 Choi Woo Suk, Weng Peter J., Yang Wei. 2022. Flexibility of telomerase in binding the RNA template and DNA telomeric repeat Proceedings of the National Academy of Sciences
7kqn Nov. 17, 2020 Choi Woo Suk, Weng Peter J., Yang Wei. 2022. Flexibility of telomerase in binding the RNA template and DNA telomeric repeat Proceedings of the National Academy of Sciences
8e8b Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8c Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8d Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8e Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8f Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8g Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8e8h Aug. 25, 2022 Chang Caleb, Lee Luo Christie, Eleraky Sarah, Lin Aaron, Zhou Grace, Gao Yang. 2023. Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase η and reduces DNA synthesis fidelity Journal of Biological Chemistry
8g9l Feb. 21, 2023 Mullins Elwood A., Salay Lauren E., Durie Clarissa L., Bradley Noah P., Jackman Jane E., Ohi Melanie D., Chazin Walter J., Eichman Brandt F.. 2024. A mechanistic model of primer synthesis from catalytic structures of DNA polymerase α–primase Nature Structural & Molecular Biology
8v6g Dec. 1, 2023 Mullins Elwood A., Salay Lauren E., Durie Clarissa L., Bradley Noah P., Jackman Jane E., Ohi Melanie D., Chazin Walter J., Eichman Brandt F.. 2024. A mechanistic model of primer synthesis from catalytic structures of DNA polymerase α–primase Nature Structural & Molecular Biology
8v6h Dec. 1, 2023 Mullins Elwood A., Salay Lauren E., Durie Clarissa L., Bradley Noah P., Jackman Jane E., Ohi Melanie D., Chazin Walter J., Eichman Brandt F.. 2024. A mechanistic model of primer synthesis from catalytic structures of DNA polymerase α–primase Nature Structural & Molecular Biology
9ljf Jan. 15, 2025 No publication

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