Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013948

Ligand	Ligand name	Chain	PDB	Tanimoto
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.83
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.83
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.74
D4G		A,B,C,D	2FDY	0.85
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.8
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.8
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.86
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.75
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.76
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.76
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.88
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.88
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.88
NCA	NICOTINAMIDE	A,B	2E5D	0.74
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.74
NCA	NICOTINAMIDE	A,B	1DMA	0.74
NCA	NICOTINAMIDE	A,B	1ISM	0.74
NCA	NICOTINAMIDE	A,B	1YC5	0.74
NCA	NICOTINAMIDE	A	2ZB7	0.74
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.74
NCA	NICOTINAMIDE	A,B	2QQG	0.74
NCA	NICOTINAMIDE	A	2OTV	0.74
NCA	NICOTINAMIDE	A	2QHF	0.74
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.74
NCA	NICOTINAMIDE	A,B	2HJH	0.74
NCA	NICOTINAMIDE	A	2A15	0.74
NCA	NICOTINAMIDE	A	2R6V	0.74
NCA	NICOTINAMIDE	A,B	1ISI	0.74
NCA	NICOTINAMIDE	A,D,E	2R9J	0.74
NCA	NICOTINAMIDE	A	2H4J	0.74
NCA	NICOTINAMIDE	A,B	2OD9	0.74
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.74
NCA	NICOTINAMIDE	A,B	3DZG	0.74
NCA	NICOTINAMIDE	A	1OJU	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.75
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.75
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.72
4AP	4-AMINOPYRIDINE	A	1AEG	0.81
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.81
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.74
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.82
282	3-methoxypyridine	X	2RBZ	0.71
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
MIL	MILRINONE	A,B	1TLM	0.74
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
MR3	1-METHYL-1H-PYRROLE	X	2OU0	0.75
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.7
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.83
3MP	3-METHYLPYRIDINE	A	1EUB	0.91
3MP	3-METHYLPYRIDINE	A	1BM6	0.91
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.73
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.74
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.85
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.86
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.86
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.7
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.75
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.77
1BY	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)	A,B	2I19	0.73
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.73
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.82
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.82
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.82
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.76
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.83
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	0.85
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.85
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.85
3AP	3-AMINOPYRIDINE	A	1AEF	0.81
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.75
2AP	2-AMINOPYRIDINE	A	1AEO	0.79
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.81
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.72
NTN	ISONICOTINAMIDINE	A	7ADH	0.84
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.72
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.86
PYS	2-PYRIDINETHIOL	A	2IPP	0.86
PHN	1,10-PHENANTHROLINE	A	1LIH	0.71
PHN	1,10-PHENANTHROLINE	A	2LIG	0.71
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.95
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.7
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.7
MYT	METYRAPONE	A	1PHG	0.7
MYT	METYRAPONE	A	1W0G	0.7