HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 5I0

Identifiers

  • Canonical SMILES: 
    C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C(O)O)O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]3NC(N)=[NH2+]
  • InChi: 
    InChI=1S/C21H41N7O13/c1-4-21(37,18(35)36)15(41-16-8(26-2)12(33)9(30)5(3-29)39-16)17(38-4)40-14-7(28-20(24)25)10(31)6(27-19(22)23)11(32)13(14)34/h4-18,26,29-37H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13+,14+,15-,16-,17-,21+/m0/s1
  • InChiKey: 
    ATLHDHNZEMANQF-UQHZJGBMSA-Q

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

164575481

RNA-SM complexes

PDB code Deposition date Reference publication
7p2e July 5, 2021 Itoh Yuzuru, Singh Vivek, Khawaja Anas, Naschberger Andreas, Nguyen Minh Duc, Rorbach Joanna, Amunts Alexey. . Structure of the mitoribosomal small subunit with streptomycin reveals Fe-S clusters and physiological molecules eLife
8cai Jan. 24, 2023 Paternoga Helge, Crowe-McAuliffe Caillan, Bock Lars V., Koller Timm O., Morici Martino, Beckert Bertrand, Myasnikov Alexander G., Grubmüller Helmut, Nováček Jiří, Wilson Daniel N.. . Structural conservation of antibiotic interaction with ribosomes Nature Structural & Molecular Biology
8cgj Feb. 5, 2023 Paternoga Helge, Crowe-McAuliffe Caillan, Bock Lars V., Koller Timm O., Morici Martino, Beckert Bertrand, Myasnikov Alexander G., Grubmüller Helmut, Nováček Jiří, Wilson Daniel N.. . Structural conservation of antibiotic interaction with ribosomes Nature Structural & Molecular Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 602.61 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart