HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 34G

Identifiers

  • Canonical SMILES: 
    CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@@H]4NCCc5cc(OC)c(OC)cc45
  • IUPAC name: 
    (3beta,14beta)-6',7',10,11-tetramethoxyemetan
  • InChi: 
    InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1
  • InChiKey: 
    AUVVAXYIELKVAI-TXQMCKRASA-N
  • SMARTS: 
    [#6]-[#6]-[#6@@H]1-[#6]-[#7]2-[#6]-[#6]-[#6]3:[#6]:[#6](-[#8]-[#6]):[#6](-[#8]-[#6]):[#6]:[#6]:3-[#6@H]-2-[#6]-[#6@H]-1-[#6]-[#6@@H]1-[#7]-[#6]-[#6]-[#6]2:[#6]:[#6](-[#8]-[#6]):[#6](-[#8]-[#6]):[#6]:[#6]:2-1

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

1151030

RNA-SM complexes

PDB code Deposition date Reference publication
3j7a June 3, 2014 Wong Wilson, Bai Xiao-chen, Brown Alan, Fernandez Israel S, Hanssen Eric, Condron Melanie, Tan Yan Hong, Baum Jake, Scheres Sjors HW. . Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine eLife
6okk April 13, 2019 Wong Wilson, Bai Xiao-chen, Brown Alan, Fernandez Israel S, Hanssen Eric, Condron Melanie, Tan Yan Hong, Baum Jake, Scheres Sjors HW. . Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine eLife
8vft Dec. 22, 2023 Zhou Changqian, Zhang Miao, Murray Jason, Paulo Joao, Gygi Steve, Shao Sichen, Whitman Malcolm, Keller Tracy. . GCN1 couples GCN2 to ribosomal state to initiate amino acid response pathway signaling Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 480.30 g/mol
HBA 6
HBD 1
HBA + HBD
AlogP 4.94
TPSA 52.19
RB 7

Radar chart