Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012413
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BT6![]() | benzenethiol | A,B,C,D | 3HSR | 0.71 | ![]() |
IBF![]() | 1,2,3,4,5-pentafluoro-6-iodobenzene | A | 3DN3 | 0.83 | ![]() |
FIB![]() | 1,2,3,4,5-pentafluoro-6-iodobenzene | A | 3DN8 | 0.83 | ![]() |
BCF![]() | 1-chloro-2,3,4,5,6-pentafluorobenzene | A | 3DN1 | 0.75 | ![]() |
BBF![]() | 1-bromo-2,3,4,5,6-pentafluorobenzene | A | 3DN2 | 0.74 | ![]() |
HFB![]() | hexafluorobenzene | A | 3DMZ | 0.89 | ![]() |
F3B![]() | 1,3,5-trichloro-2,4,6-trifluorobenzene | A | 3DN6 | 0.7 | ![]() |
F5B![]() | 1,2,3,4,5-pentafluorobenzene | A | 3DN0 | 0.78 | ![]() |