HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound SLZ

Identifiers

  • Canonical SMILES:
    NCCSC[C@H](N)C(O)=O
  • IUPAC name:
    S-(2-aminoethyl)-L-cysteine
  • InChi:
    InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
  • InChiKey:
    GHSJKUNUIHUPDF-BYPYZUCNSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
3dig June 20, 2008 Serganov Alexander, Huang Lili, Patel Dinshaw J.. . Structural insights into amino acid binding and gene control by a lysine riboswitch Nature

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 164.06 g/mol
HBA 4
HBD 3
HBA + HBD
AlogP -0.91
TPSA 89.34
RB 5

Radar chart