Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007757

Ligand	Ligand name	Chain	PDB	Tanimoto
218	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM	A	2HOP	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.75
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.75
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.75
D4G		A,B,C,D	2FDY	0.73
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.92
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.74
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.74
MIL	MILRINONE	A,B	1TLM	0.72
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.85
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.71
ISQ	ISOQUINOLINE	A	1GDK	0.76
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.78
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.76
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.76
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.92
TPL	TRYPTOPHANOL	A	1EE7	0.7
NIO	NICOTINIC ACID	A	1JHQ	0.77
NIO	NICOTINIC ACID	A	1L5L	0.77
NIO	NICOTINIC ACID	A	2F7F	0.77
NIO	NICOTINIC ACID	A	1L5K	0.77
NIO	NICOTINIC ACID	A	1JHY	0.77
NIO	NICOTINIC ACID	A,B	1FSL	0.77
NIO	NICOTINIC ACID	A	1L5M	0.77
NIO	NICOTINIC ACID	A	1LH6	0.77
NIO	NICOTINIC ACID	A	1JHO	0.77
NIO	NICOTINIC ACID	A	3CI8	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.77
NIO	NICOTINIC ACID	A,B,C,D,E,F,G,H	3HRD	0.77
NIO	NICOTINIC ACID	A	1JHA	0.77
NIO	NICOTINIC ACID	A	1JHV	0.77
NIO	NICOTINIC ACID	A	1L4N	0.77
NIO	NICOTINIC ACID	A	2LH6	0.77
NIO	NICOTINIC ACID	A	1D0V	0.77
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.77
NIO	NICOTINIC ACID	A,B	1ICR	0.77
NIO	NICOTINIC ACID	A	1JHR	0.77
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T	1UW6	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.76
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.71
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.71
NCA	NICOTINAMIDE	A,B	2E5D	0.72
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.72
NCA	NICOTINAMIDE	A,B	1DMA	0.72
NCA	NICOTINAMIDE	A,B	1ISM	0.72
NCA	NICOTINAMIDE	A,B	1YC5	0.72
NCA	NICOTINAMIDE	A	2ZB7	0.72
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.72
NCA	NICOTINAMIDE	A,B	2QQG	0.72
NCA	NICOTINAMIDE	A	2OTV	0.72
NCA	NICOTINAMIDE	A	2QHF	0.72
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.72
NCA	NICOTINAMIDE	A,B	2HJH	0.72
NCA	NICOTINAMIDE	A	2A15	0.72
NCA	NICOTINAMIDE	A	2R6V	0.72
NCA	NICOTINAMIDE	A,B	1ISI	0.72
NCA	NICOTINAMIDE	A,D,E	2R9J	0.72
NCA	NICOTINAMIDE	A	2H4J	0.72
NCA	NICOTINAMIDE	A,B	2OD9	0.72
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.72
NCA	NICOTINAMIDE	A,B	3DZG	0.72
NCA	NICOTINAMIDE	A	1OJU	0.72
NTN	ISONICOTINAMIDINE	A	7ADH	0.8
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL	A	1RFT	0.71
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL	A,B	2Z9V	0.71
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.79
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.8
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.71
4AP	4-AMINOPYRIDINE	A	1AEG	0.72
3AP	3-AMINOPYRIDINE	A	1AEF	0.71
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.74
PYS	2-PYRIDINETHIOL	A	2IPP	0.74
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.83
3MP	3-METHYLPYRIDINE	A	1BM6	0.83
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.74
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.75
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.86
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.75
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	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
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.73
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MONOPHOSPHATE	A,B	1JES	0.75
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.74
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.76