HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound A1H4F

Identifiers

  • Canonical SMILES: 
    CC(=O)O[C@@H]1[C@@H](O)CN[C@@H]1Cc2ccc(OCC(=O)N[C@@H](CCCCN)C(O)=O)cc2
  • InChi: 
    InChI=1S/C21H31N3O7/c1-13(25)31-20-17(23-11-18(20)26)10-14-5-7-15(8-6-14)30-12-19(27)24-16(21(28)29)4-2-3-9-22/h5-8,16-18,20,23,26H,2-4,9-12,22H2,1H3,(H,24,27)(H,28,29)/t16-,17+,18-,20-/m0/s1
  • InChiKey: 
    IZMYQNBWNCVEHB-DMUMMCEESA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

171389958

RNA-SM complexes

PDB code Deposition date Reference publication
8rxh Feb. 7, 2024 Rajan K. Shanmugha, Aryal Saurav, Hiregange Disha-Gajanan, Bashan Anat, Madmoni Hava, Olami Mika, Doniger Tirza, Cohen-Chalamish Smadar, Pescher Pascal, Taoka Masato, Nobe Yuko, Fedorenko Aliza, Bose Tanaya, Zimermann Ella, Prina Eric, Aharon-Hefetz Noa, Pilpel Yitzhak, Isobe Toshiaki, Unger Ron, Späth Gerald F., Yonath Ada, Michaeli Shulamit. . Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification Cell Reports

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 437.22 g/mol
HBA 8
HBD 5
HBA + HBD
AlogP -0.43
TPSA 160.21
RB 12

Radar chart