Luna

Ligands, cofactors and other small molecules from current Protein Data Bank available in database for as a subscription (updated monthly).
Database contains good SMILES.
Currently ~25,000 entries for ~5000 distinct ligands, etc. bound to macromolecules.

For further information about the algorithms behind Luna and their performance in finding ligands and assigning bond orders correctly, see this presentation.

	Home News Products DockIt Magnet Luna Cabinet Support Contact Search		Luna Ligands, cofactors and other small molecules from current Protein Data Bank available in database for as a subscription (updated monthly). Database contains good SMILES. Currently ~25,000 entries for ~5000 distinct ligands, etc. bound to macromolecules. For further information about the algorithms behind Luna and their performance in finding ligands and assigning bond orders correctly, see this presentation.