HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound HMT

Identifiers

  • Canonical SMILES: 
    COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC
  • IUPAC name: 
    (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
  • InChi: 
    InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1
  • InChiKey: 
    HYFHYPWGAURHIV-JFIAXGOJSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

285033 CHEMBL46286 DB04865

RNA-SM complexes

PDB code Deposition date Reference publication
3g6e Feb. 6, 2009 Gürel Güliz, Blaha Gregor, Moore Peter B., Steitz Thomas A.. . U2504 Determines the Species Specificity of the A-Site Cleft Antibiotics: Journal of Molecular Biology
4u4q July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u4q July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
6qzp March 12, 2019 Natchiar S. Kundhavai, Myasnikov Alexander G., Kratzat Hanna, Hazemann Isabelle, Klaholz Bruno P.. . Visualization of chemical modifications in the human 80S ribosome structure Nature
8a3d June 8, 2022 Faille Alexandre, Dent Kyle C., Pellegrino Simone, Jaako Pekka, Warren Alan J. . The chemical landscape of the human ribosome at 1.67 Å resolution []
8g6j Feb. 15, 2023 Holm Mikael, Natchiar S. Kundhavai, Rundlet Emily J., Myasnikov Alexander G., Watson Zoe L., Altman Roger B., Wang Hao-Yuan, Taunton Jack, Blanchard Scott C.. . mRNA decoding in human is kinetically and structurally distinct from bacteria Nature
9p7f June 20, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications
9p7g June 20, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications
9p7h June 20, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications
9p7i June 20, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications
9p7j June 20, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications
9p8i June 23, 2025 Zheng Wei, Zhang Yuekang, Wang Jimin, Wang Shuhui, Chai Pengxin, Bailey Elizabeth J., Zhu Chenghao, Guo Wangbiao, Devarkar Swapnil C., Wu Shenping, Lin Jianfeng, Zhang Kai, Liu Jun, Lomakin Ivan B., Xiong Yong. . Visualizing the translation landscape in human cells at high resolution Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 545.62 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart