HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound WUX

Identifiers

  • Canonical SMILES: 
    C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4[C@@H]([C@H](C[C@]34C)OC(C)=O)[C@H](CCCC5CCCC5)C(O)=O
  • InChi: 
    InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1
  • InChiKey: 
    HKTRXHLPFUKYDU-VDIKIJNFSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

RNA-SM complexes

PDB code Deposition date Reference publication
8p2f May 16, 2023 González-López Adrián, Larsson Daniel S. D., Koripella Ravi Kiran, Cain Brett N., Chavez Martin Garcia, Hergenrother Paul J., Sanyal Suparna, Selmer Maria. . Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane Scientific Reports
8p2g May 16, 2023 González-López Adrián, Larsson Daniel S. D., Koripella Ravi Kiran, Cain Brett N., Chavez Martin Garcia, Hergenrother Paul J., Sanyal Suparna, Selmer Maria. . Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane Scientific Reports

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 546.39 g/mol
HBA 5
HBD 3
HBA + HBD
AlogP 6.22
TPSA 104.06
RB 7

Radar chart