Cortexa research tool·structure·pdbe_search

PDBeSearch Get Compound

Get PDB ligand/compound information by compound ID from PDBe. Returns chemical name, formula, molecular weight, InChI, InChI key, SMILES, and systematic names. Useful for looking up small molecules that co-crystallize with proteins. Example: 'ATP' returns adenosine-5'-triphosphate (C10H16N5O13P3, MW 507.18); 'HEM' returns protoporphyrin IX containing iron.

Livelast probed 2026-04-30 23:07Z· 89msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 89ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "compound_id": {
      "description": "PDB ligand/compound 3-letter code. Examples: 'ATP' (adenosine triphosphate), 'HEM' (heme), 'NAG' (N-acetyl-D-glucosamine), 'FAD' (flavin adenine dinucleotide).",
      "type": "string"
    }
  },
  "required": [
    "compound_id"
  ],
  "type": "object"
}

Examples (1)

Default PDBeSearch Get Compound call

public-safeinput

{
  "compound_id": "aspirin"
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_PDBeSearch_get_compound
Tool name: PDBeSearch_get_compound
Added: 2026-04-30 22:47Z
Tags: tooluniverse

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