MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02006152

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
225	FELODIPINE	A	2NNJ	0.74
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.73
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.71
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.74
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.72
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.72
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.79
NTM	QUINOLINIC ACID	A,B	1QAP	0.79
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.79
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.79
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	3FHX	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2DDW	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2Z9W	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2Z9X	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	1TD2	0.71
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.76
NIO	NICOTINIC ACID	A	1JHQ	0.79
NIO	NICOTINIC ACID	A	1L5L	0.79
NIO	NICOTINIC ACID	A	2F7F	0.79
NIO	NICOTINIC ACID	A	1L5K	0.79
NIO	NICOTINIC ACID	A	1JHY	0.79
NIO	NICOTINIC ACID	A,B	1FSL	0.79
NIO	NICOTINIC ACID	A	1L5M	0.79
NIO	NICOTINIC ACID	A	1LH6	0.79
NIO	NICOTINIC ACID	A	1JHO	0.79
NIO	NICOTINIC ACID	A	3CI8	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.79
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.79
NIO	NICOTINIC ACID	A	1JHA	0.79
NIO	NICOTINIC ACID	A	1JHV	0.79
NIO	NICOTINIC ACID	A	1L4N	0.79
NIO	NICOTINIC ACID	A	2LH6	0.79
NIO	NICOTINIC ACID	A	1D0V	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.79
NIO	NICOTINIC ACID	A,B	1ICR	0.79
NIO	NICOTINIC ACID	A	1JHR	0.79
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.78