HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GIR

Identifiers

  • Canonical SMILES: 
    NC[C@H](Cl)[C@@H](O)c1[nH]c(N)nc1
  • IUPAC name: 
    (1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
  • InChi: 
    InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1
  • InChiKey: 
    YILCGOCHVFQMTC-WVZVXSGGSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

65911 CHEMBL1171272 DB21151

RNA-SM complexes

PDB code Deposition date Reference publication
2otl Feb. 8, 2007 Schroeder Susan J., Blaha Gregor, Tirado-Rives Julian, Steitz Thomas A., Moore Peter B.. . The Structures of Antibiotics Bound to the E Site Region of the 50 S Ribosomal Subunit of Haloarcula marismortui: 13-Deoxytedanolide and Girodazole Journal of Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 190.06 g/mol
HBA 4
HBD 4
HBA + HBD
AlogP -0.41
TPSA 100.95
RB 3

Radar chart