Input protein PDB structure

Input the protein PDB structure below (PDB format).
Or upload the PDB file.

Chain ID

LigBind only predicts one protein chain once, please input 1-character chain ID (case sensitive) in the text boxes. If your PDB file does not contain a chain ID, just leave it blank.

Prediction of binding residues for a specific ligand

Method 1. LigBind
Function: Prediction for 1159 ligands in the ligand-specific datasets with fine-tuned models.
You can search ligand ID by ligand name from ligands information.
Enter ligand IDs, separated by comma (no more than 10 ligands):


Method 2. LigBind-G
Function: Prediction for query ligand not included in 1159 ligands with the pre-trained model.
Input the ligand SMILES:

Prediction of binding residues for unknown ligands

Method 3. LigBind-G
Function: Prediction for general ligand with the pre-trained model without ligand information.

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