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Glossary of terms
| Terms | Explanations |
|---|---|
| Molecule_name | Name of the small molecule |
| Molecule_ID | Entry number of the small molecule in the database. This number can be used to get all information relevant to the molecule during search. |
| Target_RNA_name | Name of the RNA target |
| Target_RNA_ID | Entry number of the RNA target in the database. This number can be used to get all information relevant to the RNA during search. |
| Ka(M) | Association constant of the small molecule in molar units |
| Ki(M) | Inhibition constant of the small molecule in molar units |
| Kd(M) | Dissociation constant of the small molecule in molar units |
| IC50(M) | Half-maximal inhibitory concentration of the small molecule in molar units |
| EC50(M) | Half-maximal effective concentration of the small molecule in molar units |
| T50(M) | Half-maximal activation constant of the small molecule in molar units |
| PDB_ID | Protein Data Bank code for the RNA-small molecule complex, wherever available |
| Modeled_complex | Link to the modeled RNA-small molecule complex obtained using RDock program |
| Reference_DOI | The Digital Object Identifier (DOI) of the reference article or the source article for the RNA-small molecule interaction |
| Reference_PMID | Link to the PubMed identifier of the reference article |
| Title | Title of the reference article |
| Authors_list | List of authors for the reference article |
| Journal_name | Name of the journal where the reference article has been published |
| Volume | Volume of the journal in which the reference article has been published |
| Page_number | Page numbers in the specific volume of the journal where the reference article has been published |
| Year | Year in which the reference article was published |
| Ligand_concentration | Concentration of the small molecule (ligand) used for experimental validation of the RNA-small molecule interaction. Units of the quantity are retained as they appear in the reference article. |
| RNA_concentration | Concentration of the RNA target used for experimental validation of the RNA-small molecule interaction. Units of the quantity are retained as they appear in the reference article. |
| pH | pH at which the experimental validation was performed |
| Temperature | Temperature at which the experimental validation was performed |
| Ions_present | Names and concentrations of the various ions (as ionic salts or buffers) used in the experiment |
| Experimental_method | Name of the experimental method used to verify the RNA-small molecule interaction |
| Data_source | Source database from which the interaction was taken. For data that are not part of any previously known databases, "Additional" tag is used here. |
| SMILES | Simplified Molecular Input Line Entry System (SMILES) identifier for the small molecule |
| IUPAC_name | The standard IUPAC name for the small molecule, wherever available |
| Pubchem_CID | Link to the PubChem chemical identifier page of the small molecule, wherever available |
| LogP | Predicted octanol-water partition coefficient of the small molecule (from RDKit) |
| MW | Molecular weight (in Da) of the small molecule (from RDKit) |
| HBA | Count of hydrogen bond acceptors in the small molecule (from RDKit) |
| HBD | Count of hydrogen bond donors in the small molecule (from RDKit) |
| NRB | Number of rotatable bonds present in the small molecule (from RDKit) |
| TPSA | Topological Polar Surface Area (in Å2) of the small molecule (from RDKit) |
| Benzene_count | Number of benzene rings present in the small molecule (from RDKit) |
| QED | Quantitative estimate of drug-likeness of the small molecule (from RDKit) |
| SAS | Synthetic Accessibility Score of the small molecule (from RDKit) |
| Heavy_atom_count | Number of heavy atoms (non-hydrogen atoms) present in the small molecule (from RDKit) |
| Target_RNA_sequence | Primary sequence of bases present in the RNA target |
| Sequence_source | Source of the RNA primary sequence information |
| RNA_type | Type of RNA target (mRNA, miRNA, lncRNA, viral RNA etc.,) |
| RNA_subclass | Subclass of RNA target (pre-miRNA, pri-miRNA, FSS element, TAR element, Riboswitch etc.,) |
| RNA_sequence_length | Length of the RNA primary sequence (in bases) |
| Target_region | Region where the binding site for the small molecule can be found (5'-UTR, 3'-UTR, Splice site etc.,) |
| Secondary_structure | Secondary structure formed by the target region (Stem-loop, Bulge, G-quadruplex etc.,) |
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