Duaer

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Search ligands in Duaer

In Duaer, look up PDBe chemical component (CCD) ligands with Duaer Data. One successful search uses 1 credit. This page includes the full English call skill.

What you get

Ligands in the Duaer data market returns PDBe chemical component dictionary rows (name, formula, InChIKey). One successful search uses 1 credit.

Add the node from the Duaer Data category (Ligands), or copy the skill on the data market. Related: Structures and Compounds.

Search on the canvas

  1. Open the node creator, select Duaer Data, then Ligands.
  2. Enter Words or CCD ID (a new node starts with ATP). Comma-separate several ids.
  3. Limit defaults to 10, max 20. Select Execute step.

A successful search uses 1 credit. Production deliverables land in the data pool.

Call the API

  • GET https://api.duaer.com/v1/data/ligands?...
  • Authorization: Bearer <Duaer key>
  • words or id (CCD, 1–3 characters) is required.

For keys, refer to Authentication for the Duaer public API. Below is the same English call skill as Copy skill.

Call skill

Same text as Copy skill on the Duaer data market. Keep it English.

---
name: duaer-ligands
description: >-
  Look up PDBe chemical component (CCD) ligands through Duaer.
  One successful search uses 1 Duaer credit.
---

# Duaer ligands

Look up PDBe chemical component (CCD) ligands through Duaer with a Duaer key.

## Call

`GET https://api.duaer.com/v1/data/ligands?words=ATP&limit=10`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

Provide `words` or `id` as a CCD chemical component id (1–3 characters). Comma-separate several ids.

- `words` — CCD id such as ATP or HEM.
- `id` — optional. Same as words; combine for a batch.
- `limit` — optional. From 1 to 20. Default 10.

## Result

Each item has `source`, `title`, `url`, `summary`, `ccdId`, `name`, `formula`, `weight`, `inchiKey`, `inchi`, `compoundType`, and `firstObservedIn`.
Related structures: https://skills.duaer.com/structures.md.
Related compounds: https://skills.duaer.com/compounds.md.

## Credits

One successful search uses 1 credit.
An empty search, a failed search, a compound that matches nothing, or no remaining credits uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

Questions

How do Duaer ligands differ from structures?

Ligands look up CCD chemical component definitions. Structures search PDB entries and can filter by a bound ligand name.

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In Duaer, search compounds and drugs with Duaer Data. One successful search uses 1 credit; a name that matches nothing uses 0. This page includes the full English call skill.

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In Duaer, look up UniChem compound cross-references by InChIKey with Duaer Data. One successful search uses 1 credit. This page includes the full English call skill.

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Use the Duaer data market

In Duaer, the data market lists data you can fetch, what you get, and the price. The sidebar item sits directly under Data pool. Opening the catalog does not run a search.