HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound ANM

Identifiers

  • Canonical SMILES: 
    COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
  • IUPAC name: 
    (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate
  • InChi: 
    InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
  • InChiKey: 
    YKJYKKNCCRKFSL-RDBSUJKOSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

253602 CHEMBL423192 DB07374

RNA-SM complexes

PDB code Deposition date Reference publication
1k73 Oct. 18, 2001 Hansen Jeffrey L., Moore Peter B., Steitz Thomas A.. . Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit Journal of Molecular Biology
3cc4 Feb. 24, 2008 Blaha Gregor, Gürel Güliz, Schroeder Susan J., Moore Peter B., Steitz Thomas A.. . Mutations Outside the Anisomycin-Binding Site Can Make Ribosomes Drug-Resistant Journal of Molecular Biology
4u3m July 22, 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
4u3m July 22, 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
5fcj Dec. 15, 2015 Mailliot Justine, Garreau de Loubresse Nicolas, Yusupova Gulnara, Meskauskas Arturas, Dinman Jonathan D., Yusupov Marat. . Crystal Structures of the uL3 Mutant Ribosome: Illustration of the Importance of Ribosomal Proteins for Translation Efficiency Journal of Molecular Biology
7q0p Oct. 15, 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
8g5y Feb. 14, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature
8g5z Feb. 14, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature
8g60 Feb. 14, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature
8g61 Feb. 14, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature
8glp March 22, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 265.13 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP 0.50
TPSA 67.79
RB 4

Radar chart