iDrug

Function Center

Drug and Protein Query Center

This page provides drug structure lookup, protein structure lookup, and an extensible information-mining entry point, all aligned with the same visual style as the home page and DTI workflow.

Current User: [[ userName_login ]]

Current Module: [[ currentModuleLabel ]]

Module Selection

Choose a module on the left and complete the search on the right. Both signed-in and guest users can use the query tools.

Complex Structure Query

Search by PDB ID. The system will query the local complex cache first and fall back to online PDB data only when no local complex record is available.

Complex 3D View

Example complex preview

Complex Information

PDB ID

[[ complex_pdb_id || '-' ]]

Title

[[ complex_title || '-' ]]

Protein Name

[[ complex_protein_name || '-' ]]

Ligand IDs

[[ complex_ligand_ids || '-' ]]

Ligand Names

[[ complex_ligand_names || '-' ]]

Bound Components

[[ complex_bound_components || '-' ]]

Keywords

[[ complex_keywords || '-' ]]

Structure File

Open Structure File-

Drug Structure Query

Search by SMILES or PubChem CID and display the five most useful core fields for the compound.

Structure Image

Drug Information

CID

[[ drugx_id || '-' ]]

Drug Name

[[ IupacName || '-' ]]

SMILES

[[ CanonicalSMILES || '-' ]]

Molecular Formula

[[ MolecularFormula || '-' ]]

Molecular Weight

[[ MolecularWeight || '-' ]]

Protein Structure Query

Search by PDB ID, UniProt accession, or protein sequence and display the structure image plus core protein metadata.

Structure Image

Protein Information

PDB ID

[[ pdb_id || '-' ]]

UniProt

[[ uniprot_id || '-' ]]

Sequence

[[ seq || '-' ]]

Molecular Weight

[[ molecular_weight2 || '-' ]]

Bound Components

[[ nonpolymer_bound_components || '-' ]]

Keywords

[[ pdbx_keywords || '-' ]]

Information Mining

This module is currently reserved as a placeholder and can be expanded later while keeping the same visual structure.