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

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