HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 3K5

Identifiers

  • Canonical SMILES: 
    C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)\C=C\c3ccccc3)O[C@H]4C[C@H](CC[C@H]4[C@@]25CO5)C(=O)O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@H]6O[C@@H]7O[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@H]7O
  • IUPAC name: 
    3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
  • InChi: 
    InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1
  • InChiKey: 
    VOTNXJVGRXZYOA-XFJWYURVSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

6436218 CHEMBL510962

RNA-SM complexes

PDB code Deposition date Reference publication
4u4z July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u4z July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
7q0f Oct. 14, 2021 Zgadzay Yury, Kolosova Olga, Stetsenko Artem, Wu Cheng, Bruchlen David, Usachev Konstantin, Validov Shamil, Jenner Lasse, Rogachev Andrey, Yusupova Gulnara, Sachs Matthew S., Guskov Albert, Yusupov Marat. . E-site drug specificity of the human pathogen Candida albicans ribosome Science Advances
8c3a Dec. 23, 2022
8c3a Dec. 23, 2022
8cq7 March 3, 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
8cq7 March 3, 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
8cqw March 7, 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
8cqw March 7, 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
8cre March 8, 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
8cre March 8, 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
8oeq March 12, 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
8oeq March 12, 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
8oh6 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
8oh6 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
8oi5 March 22, 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
8oj3 March 23, 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
8oj3 March 23, 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

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 804.83 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart