ChEMBL Download
Fetch ChEMBL compound structure and metadata files by ChEMBL molecule ID.
Input
Output
CHEMBL25
CHEMBL941
CHEMBL1201585
Input
Output
CHEMBL25
CHEMBL941
CHEMBL1201585
How to download ChEMBL records?
ChEMBL Download fetches downloadable molecule files from ChEMBL using a ChEMBL molecule ID. It returns JSON and SDF files in the results panel with metadata such as molecule type, molecular formula, molecular weight, AlogP, and SMILES when available.
Use this tool when you need ChEMBL compound files for cheminformatics, ligand preparation, screening, or reproducible molecule metadata.
| Input | Description |
|---|---|
Entry ID | ChEMBL molecule ID. Examples: CHEMBL25, CHEMBL941, CHEMBL1201585. |
| Setting | Description |
|---|---|
Database | Opens the selected database download tool. |
Output format | Return all files, JSON, or SDF. |
Supported ChEMBL downloads
| File | Format | Use |
|---|---|---|
| JSON | .json | ChEMBL molecule record for programmatic use. |
| SDF | .sdf | Structure file for cheminformatics and ligand workflows. |
Understanding the results
The results panel lists each downloadable ChEMBL file. The Details tab includes the database, ChEMBL ID, record title, file label, format, source type, filename, and URL.
Filenames follow the pattern:
chembl-CHEMBL25-json.json
chembl-CHEMBL25-sdf.sdfIf you need to convert ChEMBL SDF files into another ligand format, use Open Babel, SDF to PDB, or SDF to SMILES.
Common use cases
- Download ChEMBL SDF files before ligand preparation.
- Store JSON molecule metadata with screening results.
- Retrieve structures for known drug-like compounds.
- Convert ChEMBL structures into docking-ready formats.
FAQ
Can I enter a compound name?
This download tool is intended for direct ChEMBL IDs. Use database search first if you only know a compound name.
Why does the filename use the ChEMBL ID?
The ID is the stable database identifier and prevents ambiguity when compound names have synonyms or multiple spelling variants.
Can I use the SDF output for docking?
Yes, but docking tools often require preparation steps such as protonation, charge assignment, 3D coordinate cleanup, and format conversion.
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