HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PHE

Identifiers

  • Canonical SMILES: 
    N[C@@H](Cc1ccccc1)C(O)=O
  • IUPAC name: 
    L-phenylalanine
  • InChi: 
    InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
  • InChiKey: 
    COLNVLDHVKWLRT-QMMMGPOBSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

6925665 CHEMBL301523 DB00120

RNA-SM complexes

PDB code Deposition date Reference publication
5o61 June 3, 2017 Hentschel Jendrik, Burnside Chloe, Mignot Ingrid, Leibundgut Marc, Boehringer Daniel, Ban Nenad. . The Complete Structure of the Mycobacterium smegmatis 70S Ribosome Cell Reports
9gr1 Sept. 10, 2024 Webster Michael W., Chauvier Adrien, Rahil Huma, Graziadei Andrea, Charles Kristine, Miropolskaya Nataliya, Takacs Maria, Saint-André Charlotte, Rappsilber Juri, Walter Nils G., Weixlbaumer Albert. . Molecular basis of mRNA delivery to the bacterial ribosome Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 165.08 g/mol
HBA 2
HBD 2
HBA + HBD
AlogP 0.64
TPSA 63.32
RB 3

Radar chart