Search Portal

CpuPDB Search Portal

This page provides a dedicated interface for retrieving CpuPDB entries by structure identifier, ligand information, protein sequence, or molecular dynamics data. Query construction, result grouping, and post-search refinement are organized within a unified interface to support efficient exploration of the database.

Structure search by PDB ID, ligand ID, or SMILES Sequence-based retrieval of homologous entries Molecular dynamics pocket records

38,781 PDB structures

Curated structure entries available for binding-site retrieval and downstream analysis.

Search all records 67,978 Real pockets

Pockets detected from known biological small molecules.

Search all records 20,781 Cryptic pocket

Pockets from MD trajectories.

Search all records 146,582 LVPocket

Pockets predicted by LVPocket.

Search all records

PDB ID

Ligand ID

Ligand SMILES

Multiple structure criteria may be combined within a single query. Press Ctrl/Cmd + Enter in the SMILES field to submit directly.

Protein Sequence

FASTA header lines are removed automatically before sequence submission.

Dynamics PDB ID

Use this mode to retrieve entries associated with molecular dynamics pocket analysis.

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Use the query panel to initiate a search, or open one of the preset collections from the homepage statistics.