Combine two ligands into a hybrid

Add two parent ligands. Linkwright builds hybrids by named reaction rules or short linkers, explains each connection, checks public databases, and writes a report and GROMACS input files you can download.

Open ligand preparation & protein QC → 3D SDF preparation and PDB inventory checks.

Open AutoDock Vina batch docking → Requires pre-prepared receptor and ligand PDBQT files.

Parent ligands

Drop a file or click. SDF, MOL, MOL2, PDB, SMI
Drop a file or click. SDF, MOL, MOL2, PDB, SMI
Linkers and attachment sites

Reaction compatibility & product preview

Analyze the two SMILES entered above. Linkwright detects functional groups, evaluates its curated forward-reaction rules, and displays validated computational product graphs with reaction provenance.

Enter SMILES for both parents, then analyze.