TrypInDB

TrypInDB is a searchable online resource of small molecule inhibitors having a varying degree of activity towards Trypanosoma sp. Information of about >14,000 small molecules from >700 published research articles were collected and made as an easy-to-search database. Four major sets of information were made available for each collected inhibitors viz., General information (activity values; source of the inhibitors; enzyme targets; etc.,), Structural information, Toxicity information, and Literature information. More than 40 different information about each inhibitor were collected or predicted and made accessible for searching.

Know More



Query Filter

Organism:

Experiment:

Measure:

Unit:

Solubility:

Enzyme:

Source:

LeishINDB:

Mol.W: - Activity: -
Lipinski violation:

Oral Bioavailability:

GSK 4/400:

Pfizer 3/75:

Phospholipidosis:

PPI Friendly:

Similarity with FDA: - Year From-To: - Pubchem ID: Pubmed ID:
SMILES: Oral Toxicity:

Carcinogenicity:

Search any: Sub-structure Search


Info ID Structure Pubchem ID MEASURE M_VALUE M_UNIT Organism sp. Year Cytotoxicity Tested Target Enzyme Exp. Type Source Activity Info LeishINDB ID LEISH_BOOL Pubmed ID SMILES Mol Wt. logP logD tPSA HBD HBA Lipinski Violation Solubility Solubility Forecast Index Oral Bioavailability GSK 4/400 Pfizer 3/75 Phospholipidosis PPI_Friendly Similar FDA Drug Similarity (0-1) Oral Toxicity Carcinogenecity
Info ID Structure Pubchem ID MEASURE M_VALUE M_UNIT Organism sp. Year Cytotoxicity Tested Target Enzyme Exp. Type Source Activity Info LeishINDB ID LEISH_BOOL Pubmed ID SMILES Mol Wt. logP logD tPSA HBD HBA Lipinski Violation Solubility Solubility Forecast Index Oral Bioavailability GSK 4/400 Pfizer 3/75 Phospholipidosis PPI_Friendly Similar FDA Drug Similarity (0-1) Oral Toxicity Carcinogenecity


Statistics

For values mouse-over on graph
Click on legend text to include or exclude data from the graph


Help

General Instructions

  1. 1. No login or subscription is required for browising/searching/ downloading data from the database.
  2. 2. The database interface is userfriendly and most of the features are self-descriptive, for any quries please contact support@trypindb.biomedinformri.com

Search Instructions

  1. 1. The database search settings allow one to search the database using different filters.
  2. 2. Description of each filter can be obtained by clicking "?" next to corresponding field in the "Query Filter" panel
  3. 3. By default, when the "Search DB" page is browsed, the page loads all the records in the table and lists all 14,068 records.
  4. 4. Users can apply one or more filters, according to their need, to filter the compounds. The filter fields are dynamic and hence, the changes made to the flters will be reflected in the result table instantly
  5. 5. Once a filter is applied, only the records satisfying the filter criteria will be loaded in the output table. The total number of records, after applying various filter, can be seen below the export option buttons.
  6. 6. Number of records to be displayed in the table at-a-time can be managed through "Show entries" box at the bottom of output table. The default display record is 5.
  7. 7. Each column can be sorted "ascending" or "descending" using the sort button available near the column header.
  8. 8. The output table page can be scrolled with the help of "Scroll page buttons" at the bottom of the output table.
  9. 9. The filter fields contain either a "Text box" or "Drop-down menu" or "Range box" for the user to provide filter input. Text can be enterd directly into the "Text box" as well as "Range box", but not into "Drop-down list". Also, the first box of the "Range box" is for entering minimum value and the second box for entering maximum value. Only one value can be selected from "Drop-down menu" at a time.
  10. 10. Sub-structure search can be used to search sub-structures in the TrypInDB. Click "Sub-structure search" button. A new pop-up window appears, in which the sub-structures to be searched can be drawn using molecule editor by clicking "Draw Molecule" button. By clciking "search molecule" button, structures in LeishInDB that matches the input criteria will be displayed

Export & Download Instructions

  1. 1. Export and Download options are available on top of the result table.
  2. 2. The export and download buttons wont be active if the filtered records were more than 1500.
  3. 3. The export options include exporting the filtered records to COPY as tab delimited text, to export as CSV, or to export as EXCEL file.
  4. 4. Beside this, the compounds can also be downloaded using TrypInDB ID from the "Download" option in the main menu (icon with download symbol on right-top of the page)
  5. 5. Individual compounds can be downloaded by clicking the button next to the compound image in the result table.
  6. 6. Enable the pop-up blockers to allow downloads, if any, before export or download.
  7. 7. The compounds will be downloaded as .zip format, whcih contains the selected fromat structure files.


Contact Us

Department of Bioinforamtics/Biostatistics,
Rajendra Memorial Research Institute of Medical Sciences (RMRIMS), ICMR,
Agamkuan, Patna 800007. India.

support@trypindb.biomedinformri.com
saravanan.vij@icmr.gov.in

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