ChEMBL MCP Server

MIT License

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get_compound_structure

Fetch chemical structure details by ChEMBL compound ID in formats like SMILES, InChI, MOL, or SDF using ChEMBL MCP Server.

Instructions

Retrieve chemical structure information in various formats

Input Schema

Name	Required	Description	Default
`chembl_id`	Yes	ChEMBL compound ID
`format`	No	Structure format (default: smiles)

Input Schema (JSON Schema)

{
  "properties": {
    "chembl_id": {
      "description": "ChEMBL compound ID",
      "type": "string"
    },
    "format": {
      "description": "Structure format (default: smiles)",
      "enum": [
        "smiles",
        "inchi",
        "molfile",
        "sdf"
      ],
      "type": "string"
    }
  },
  "required": [
    "chembl_id"
  ],
  "type": "object"
}

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