CSAlign and CSAlign-Dock

CSAlign: Structure alignment of query ligand to reference ligand
CSAlign-Dock: Alignment-based protein-ligand docking

User Information
Job name
E-mail address (Optional)
Selection of method
Method CSAlign: Ligand structure alignment
CSAlign-Dock: Alignment-based protein-ligand docking
Query Ligand Structure
Query Ligand File
(≤150 atoms)
Ligand Structure Files (allowed file extensions: mol2, pdb, xyz)
Note: Ligand structure with stereochemically wrong topology might results in inaccurate docking. (e.g. 2D-projected structure of non-planar ligands)
Or SMILES string
(≤150 atoms)
Reference Structure
Reference Structure File

CSAlign requires reference ligand structure file (mol2,pdb,xyz)
CSAlign-Dock requires reference protein-ligand complex structure file (pdb)
Note: The reference structure should contain a single ligand structure.
Docking box size (Optional)
Size of Docking Box

Cubic box length in angstrom (defalut: 22.5)
Submit