ChEMBL MCP Server

MIT License

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get_compound_structure

Retrieve chemical structure data in multiple formats (SMILES, InChI, MOLfile, SDF) using ChEMBL compound IDs for analysis and integration.

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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