bindingdb_targets_by_smiles

Pack: bindingdb · Endpoint: https://gateway.pipeworx.io/bindingdb/mcp

No MCP client? Call it directly: GET https://gateway.pipeworx.io/v1/tools/bindingdb_targets_by_smiles for the schema, then POST the same URL with its arguments for the data.

Given a compound SMILES, the protein targets BindingDB has measured it (or a structurally similar compound) against, with species and affinity. AUTHORITATIVE for compound-to-target and off-target lookups grounded in published measurements. Use a similarity cutoff below 1.0 to pull analogues as well as the exact structure.

Parameters

Example call

Arguments

{
  "smiles": "CC(=O)Oc1ccccc1C(=O)O",
  "similarity": 0.85,
  "limit": 3
}

curl

curl -X POST https://gateway.pipeworx.io/bindingdb/mcp \
  -H 'Content-Type: application/json' \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"bindingdb_targets_by_smiles","arguments":{"smiles":"CC(=O)Oc1ccccc1C(=O)O","similarity":0.85,"limit":3}}}'

TypeScript (@pipeworx/sdk)

import { Pipeworx } from '@pipeworx/sdk';
const pipeworx = new Pipeworx();

const result = await pipeworx.call('bindingdb_targets_by_smiles', {
  "smiles": "CC(=O)Oc1ccccc1C(=O)O",
  "similarity": 0.85,
  "limit": 3
});

Connect

Add this to your MCP client config, or use one-click install buttons:

{
  "mcpServers": {
    "bindingdb": {
      "url": "https://gateway.pipeworx.io/bindingdb/mcp"
    }
  }
}

See Getting Started for client-specific install steps.