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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.
View JSON schemaExpandCollapse
JSON · 12 lines · 427 chars
Examples (1)
Default RCSBGraphQL Get Ligand Info call
Public-safe example · rate-limited
JSON input · 3 lines · 22 chars
Expected response keys: success
Identifiers
- Catalog ID
- tu_RCSBGraphQL_get_ligand_info
- Tool name
- RCSBGraphQL_get_ligand_info
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse