HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound YMZ

Identifiers

  • Canonical SMILES: 
    O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
  • InChi: 
    InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1
  • InChiKey: 
    XEEQGYMUWCZPDN-SWLSCSKDSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

456309 CHEMBL411329 DB05636

RNA-SM complexes

PDB code Deposition date Reference publication
5umd Jan. 27, 2017 Wong Wilson, Bai Xiao-Chen, Sleebs Brad E., Triglia Tony, Brown Alan, Thompson Jennifer K., Jackson Katherine E., Hanssen Eric, Marapana Danushka S., Fernandez Israel S., Ralph Stuart A., Cowman Alan F., Scheres Sjors H. W., Baum Jake. . Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis Nature Microbiology
5umd Jan. 27, 2017 Wong Wilson, Bai Xiao-Chen, Sleebs Brad E., Triglia Tony, Brown Alan, Thompson Jennifer K., Jackson Katherine E., Hanssen Eric, Marapana Danushka S., Fernandez Israel S., Ralph Stuart A., Cowman Alan F., Scheres Sjors H. W., Baum Jake. . Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis Nature Microbiology
8ogj March 20, 2023 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences
8ogj March 20, 2023 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences
9g1z July 10, 2024 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences
9g1z July 10, 2024 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences
9g6j July 18, 2024 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 378.31 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart