MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02006128

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
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.73
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.73
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.73
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.73
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.8
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.8
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.7
QND	QUINALDIC ACID	A,B	1IDA	0.79
BRF		A	1UUO	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.79
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	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.73
NTM	QUINOLINIC ACID	A	3C2O	0.74
NTM	QUINOLINIC ACID	A,B	1QAP	0.74
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.74
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.74
238		A	2PRH	0.72
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.74
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
NIO	NICOTINIC ACID	A	1JHQ	0.76
NIO	NICOTINIC ACID	A	1L5L	0.76
NIO	NICOTINIC ACID	A	2F7F	0.76
NIO	NICOTINIC ACID	A	1L5K	0.76
NIO	NICOTINIC ACID	A	1JHY	0.76
NIO	NICOTINIC ACID	A,B	1FSL	0.76
NIO	NICOTINIC ACID	A	1L5M	0.76
NIO	NICOTINIC ACID	A	1LH6	0.76
NIO	NICOTINIC ACID	A	1JHO	0.76
NIO	NICOTINIC ACID	A	3CI8	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.76
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.76
NIO	NICOTINIC ACID	A	1JHA	0.76
NIO	NICOTINIC ACID	A	1JHV	0.76
NIO	NICOTINIC ACID	A	1L4N	0.76
NIO	NICOTINIC ACID	A	2LH6	0.76
NIO	NICOTINIC ACID	A	1D0V	0.76
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.76
NIO	NICOTINIC ACID	A,B	1ICR	0.76
NIO	NICOTINIC ACID	A	1JHR	0.76
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.77
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.76
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.76
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.73