MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528450

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
SHF	LAEVULINIC ACID	A	1YLV	0.74
SHF	LAEVULINIC ACID	A	1H7N	0.74
4PA	PROPYL ACETATE	A	1TQH	0.73
4PA	PROPYL ACETATE	A	2O7R	0.73
GBL	GAMMA-BUTYROLACTONE	A,B	2VWD	0.75
GBL	GAMMA-BUTYROLACTONE	A,B	3F66	0.75
GBL	GAMMA-BUTYROLACTONE	A	2WD1	0.75
GBL	GAMMA-BUTYROLACTONE	A,B	2CBI	0.75
EEE	ETHYL ACETATE	A	2QFL	0.7
EEE	ETHYL ACETATE	A,B,C	1QFI	0.7
EEE	ETHYL ACETATE	A,B,C	1YAH	0.7
EEE	ETHYL ACETATE	A,B,C	1A7Y	0.7
CA1	ETHYL PROPIONATE	B	2B0F	0.77