HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compounds
RNA-SM complexes
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compounds

compounds

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System Properties

Experimental technique Experimental resolution Molecular weight Deposition date Molecule type Organism With MD simulation With equivalence class

Ligand Properties

Molecular weight Number of atoms Number of PDB entries Lipinski rule of 5 Veber Pfizer 3/75

Pocket Properties

Number of interacting chains Pocket size SiteScore Dscore Exposure Enclosure Hydrophobicity Hydrophilicity Donor/Acceptor Volume RNA environment global RNA environment detailed RNA family global RNA family chains With binding affinity values Only one non-redundant filter can be selected at a time Non-redundant only Non-redundant only (RNA)

536 compounds found

compounds per page

60 120 180

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PDB Ligand ID (ascending) PDB Ligand ID (descending) Molecular weight (ascending) Molecular weight (descending) lipinski ok (ascending) lipinski ok (descending) Veber ok (ascending) Veber ok (descending) Pfizer ok (ascending) Pfizer ok (descending)

7AL

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Molecular weight: 383.19 g/mol

7MB

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Molecular weight: 340.02 g/mol

7PD

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Molecular weight: 179.04 g/mol

80P

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Molecular weight: 579.22 g/mol

84D

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Molecular weight: 451.26 g/mol

84G

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Molecular weight: 552.31 g/mol

84T

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Molecular weight: 460.15 g/mol

86P

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Molecular weight: 868.04 g/mol

86S

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Molecular weight: 708.11 g/mol

8AN

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Molecular weight: 346.08 g/mol

8B4

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Molecular weight: 443.04 g/mol

8GT

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Molecular weight: 538.99 g/mol

8OS

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Molecular weight: 427.10 g/mol

8UZ

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Molecular weight: 483.25 g/mol

917

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Molecular weight: 317.08 g/mol

95H

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Molecular weight: 402.11 g/mol

96T

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Molecular weight: 445.29 g/mol

9SO

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Molecular weight: 639.04 g/mol

A0I

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Molecular weight: 482.00 g/mol

A1A1F

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Molecular weight: 482.30 g/mol

A1A1J

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Molecular weight: 480.32 g/mol

A1A1K

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Molecular weight: 546.22 g/mol

A1A1L

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Molecular weight: 530.28 g/mol

A1ACD

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Molecular weight: 480.01 g/mol

A1AD3

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Molecular weight: 254.09 g/mol

A1AEC

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Molecular weight: 522.18 g/mol

A1AED

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Molecular weight: 438.16 g/mol

A1AEE

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Molecular weight: 504.19 g/mol

A1AEF

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Molecular weight: 456.15 g/mol

A1AG8

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Molecular weight: 654.23 g/mol

A1AIX

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Molecular weight: 588.20 g/mol

A1AZL

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Molecular weight: 376.20 g/mol

A1AZM

Select this compound

Molecular weight: 312.13 g/mol

A1B75

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Molecular weight: 363.22 g/mol

A1B76

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Molecular weight: 374.16 g/mol

A1BB1

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Molecular weight: 559.23 g/mol

A1BC9

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Molecular weight: 537.61 g/mol

A1BNL

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Molecular weight: 430.12 g/mol

A1BNU

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Molecular weight: 167.12 g/mol

A1BWO

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Molecular weight: 419.10 g/mol

A1C7K

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Molecular weight: 733.40 g/mol

A1CGJ

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Molecular weight: 742.16 g/mol

A1CWA

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Molecular weight: 412.10 g/mol

A1CYH

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Molecular weight: 470.19 g/mol

A1D6G

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Molecular weight: 968.50 g/mol

A1DCZ

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Molecular weight: 364.06 g/mol

A1EA7

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Molecular weight: 470.24 g/mol

A1EBI

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Molecular weight: 397.10 g/mol

A1EI4

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Molecular weight: 387.17 g/mol

A1EST

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Molecular weight: 368.11 g/mol

A1ETT

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Molecular weight: 266.09 g/mol

A1H4F

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Molecular weight: 437.22 g/mol

A1I09

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Molecular weight: 574.21 g/mol

A1IC4

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Molecular weight: 643.21 g/mol

A1IM2

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Molecular weight: 563.17 g/mol

A1IWA

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Molecular weight: 289.13 g/mol

A1IY6

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Molecular weight: 446.09 g/mol

A1JA7

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Molecular weight: 805.31 g/mol

A1JAI

Select this compound

Molecular weight: 932.42 g/mol

A1L3Y

Select this compound

Molecular weight: 492.23 g/mol

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Experimental method

Electron Microscopy

Solution NMR

X-ray

Experimental resolution

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Molecular Weight

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Deposition date

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Molecular composition of the system

RNA

RNA/DNA

RNA/DNA/Protein

RNA/Protein

Source organism

Acidobacterium

Acinetobacter

Alphainfluenzavirus

Alpharetrovirus

Anabaena

Arabidopsis

Archaeoglobus

Azoarcus

Bacillus

Bacteroides

Bandavirus

Betacoronavirus

Betainfluenzavirus

Bifidobacterium

Bombyx

Bos

Brassica

Caenorhabditis

Caldanaerobacter

Candida

Candidatus Korobacter

Candidatus Pelagibacter

Carnobacterium

Chlamydomonas

Clostridium

Coxiella

Cutibacterium

Cypovirus

Deinococcus

Desulfonema

Didymium

Entamoeba

Enterococcus

Enterovirus

Escherichia

Faecalibacterium

Francisella

Fusobacterium

Geobacter

Giardia

Gloeobacter

Halalkalibacterium (ex Joshi et al. 2022)

Haloarcula

Henipavirus

Hepacivirus

Homo

Ideonella

Klebsiella

Kluyveromyces

Lacticaseibacillus

Lactococcus

Leishmania

Lentivirus

Listeria

Mammarenavirus

Mesoplasma

Mesorhizobium

Mus

Mycobacterium

Mycolicibacterium

Mycoplasmoides

Neurospora

Nicotiana

Oceanobacillus

Orthobunyavirus

Orthoflavivirus

Orthonairovirus

Orthopneumovirus

Orthoreovirus

Oryctolagus

Paenibacillus

Plasmodium

Porphyromonas

Pseudomonas

Pylaiella

Pyrobaculum

Ralstonia

Rauchvirus

Roseobacter

Rotavirus

Ruminococcus

Saccharolobus

Saccharomyces

Schaalia

Segatella

Solanum

Staphylococcus

Streptococcus

Streptomyces

Sulfobacillus

Sulfolobus

Sus

Syntrophothermus

Taeniopygia

Tequatrovirus

Teseptimavirus

Tetrahymena

Thermoanaerobacter

Thermochaetoides

Thermotoga

Thermovirga

Thermus

Thogotovirus

Tilapinevirus

Tribolium

Trichoplusia

Triticum

Trypanosoma

Tymovirus

Varicellovirus

Vesiculovirus

Vibrio

Molecular weight

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Number of atoms

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Number of PDB entries

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Number of interacting chains

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Pocket size

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SiteScore

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Dscore

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Exposure

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Enclosure

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Hydrophobicity

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Hydrophilicity

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Donor/Acceptor

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Volume

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RNA environment global

RNA

RNA/DNA

RNA/DNA/Protein

RNA/Other

RNA/Protein

RNA environment detailed

DNA

ion

other

protein

RNA-only

RNA family global

RNA/DNA_hybrid

TAR_rna

aptamer_rna

mRNA

multiple

rRNA

riboswitch

ribozyme

snRNA

sre_rna

synthetic construct

tRNA

telomerase_RNA

unknown

RNA family chains

aptamer_rna

mRNA

riboswitch

ribozyme

RNA/DNA_hybrid

rRNA

snRNA

sre_rna

synthetic construct

TAR_rna

telomerase_RNA

tRNA

unknown

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