MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016434

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
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.8
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE	A	1RTH	0.73
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE	A	1RT3	0.73
U05	6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE	A	1LW2	0.73
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.77
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.77
NTM	QUINOLINIC ACID	A	3C2O	0.75
NTM	QUINOLINIC ACID	A,B	1QAP	0.75
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.75
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.71
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.71
NIO	NICOTINIC ACID	A	1JHQ	0.8
NIO	NICOTINIC ACID	A	1L5L	0.8
NIO	NICOTINIC ACID	A	2F7F	0.8
NIO	NICOTINIC ACID	A	1L5K	0.8
NIO	NICOTINIC ACID	A	1JHY	0.8
NIO	NICOTINIC ACID	A,B	1FSL	0.8
NIO	NICOTINIC ACID	A	1L5M	0.8
NIO	NICOTINIC ACID	A	1LH6	0.8
NIO	NICOTINIC ACID	A	1JHO	0.8
NIO	NICOTINIC ACID	A	3CI8	0.8
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.8
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.8
NIO	NICOTINIC ACID	A	1JHA	0.8
NIO	NICOTINIC ACID	A	1JHV	0.8
NIO	NICOTINIC ACID	A	1L4N	0.8
NIO	NICOTINIC ACID	A	2LH6	0.8
NIO	NICOTINIC ACID	A	1D0V	0.8
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.8
NIO	NICOTINIC ACID	A,B	1ICR	0.8
NIO	NICOTINIC ACID	A	1JHR	0.8
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.7
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.7
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.73
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.73
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.72
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.72
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.72