HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound AMO

Identifiers

  • Canonical SMILES: 
    N[C@@H](CC(O)=O)C(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
  • IUPAC name: 
    5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine
  • InChi: 
    InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
  • InChiKey: 
    QPBSGQWTJLPZNF-VWJPMABRSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

444700 DB01895

RNA-SM complexes

PDB code Deposition date Reference publication
1c0a July 15, 1999 Eiler S., Dock‐Bregeon A.‐C., Moulinier L., Thierry J.‐C., Moras D.. . Synthesis of aspartyl‐tRNAAsp in Escherichia coli—a snapshot of the second step The EMBO Journal
1il2 May 7, 2001 Moulinier L., Eiler S., Eriani G., Gangloff J., Thierry J.‐C., Gabriel K., McClain W.H., Moras D.. . The structure of an AspRS—tRNAAsp complex reveals a tRNA‐dependent control mechanism The EMBO Journal

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 462.09 g/mol
HBA 13
HBD 6
HBA + HBD
AlogP -2.51
TPSA 255.46
RB 8

Radar chart