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Cortexa research tool·structure·rcsb_graphql

RCSBGraphQL Get Ligand Info

Get detailed chemical component (ligand) information from the PDB using the RCSB Data API. Returns the ligand name, molecular formula, molecular weight, SMILES, InChIKey, type (non-polymer, peptide-like, etc.), and known drug targets with their actions (inhibitor, substrate, cofactor, etc.) from DrugBank. Use this to look up small molecules, cofactors, or drugs found in PDB structures.

AvailableCortexa

Schema

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

JSON · 12 lines · 427 chars

Examples (1)

Default RCSBGraphQL Get Ligand Info call

public-safeinput
JSON · 3 lines · 19 chars
Expected response keys: success

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

Identifiers

Catalog ID
tu_RCSBGraphQL_get_ligand_info
Tool name
RCSBGraphQL_get_ligand_info
Added
2026-04-30 22:47Z
Tags
tooluniverse
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