HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound 4PQ

Identifiers

  • Canonical SMILES:
    N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
  • IUPAC name:
    5-hydroxy-L-tryptophan
  • InChi:
    InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
  • InChiKey:
    LDCYZAJDBXYCGN-VIFPVBQESA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


439280

CHEMBL350221

DB02959

RNA-SM complexes

PDB code Deposition date Reference publication
5kpy July 5, 2016 Porter Ely B, Polaski Jacob T, Morck Makenna M, Batey Robert T. . Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 220.09 g/mol
HBA 3
HBD 4
HBA + HBD
AlogP 0.83
TPSA 99.34
RB 3

Radar chart