Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02327914

Ligand	Ligand name	Chain	PDB	Tanimoto
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
3MP	3-METHYLPYRIDINE	A	1EUB	0.85
3MP	3-METHYLPYRIDINE	A	1BM6	0.85
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
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.75
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.76
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.76
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
NCA	NICOTINAMIDE	A,B	2E5D	0.73
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.73
NCA	NICOTINAMIDE	A,B	1DMA	0.73
NCA	NICOTINAMIDE	A,B	1ISM	0.73
NCA	NICOTINAMIDE	A,B	1YC5	0.73
NCA	NICOTINAMIDE	A	2ZB7	0.73
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.73
NCA	NICOTINAMIDE	A,B	2QQG	0.73
NCA	NICOTINAMIDE	A	2OTV	0.73
NCA	NICOTINAMIDE	A	2QHF	0.73
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.73
NCA	NICOTINAMIDE	A,B	2HJH	0.73
NCA	NICOTINAMIDE	A	2A15	0.73
NCA	NICOTINAMIDE	A	2R6V	0.73
NCA	NICOTINAMIDE	A,B	1ISI	0.73
NCA	NICOTINAMIDE	A,D,E	2R9J	0.73
NCA	NICOTINAMIDE	A	2H4J	0.73
NCA	NICOTINAMIDE	A,B	2OD9	0.73
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.73
NCA	NICOTINAMIDE	A,B	3DZG	0.73
NCA	NICOTINAMIDE	A	1OJU	0.73
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.72
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.71
D4G		A,B,C,D	2FDY	0.75
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.76
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.71
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
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.76
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.76
NTN	ISONICOTINAMIDINE	A	7ADH	0.82
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.78
3AP	3-AMINOPYRIDINE	A	1AEF	0.74
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.72
2AP	2-AMINOPYRIDINE	A	1AEO	0.7
PHN	1,10-PHENANTHROLINE	A	1LIH	0.72
PHN	1,10-PHENANTHROLINE	A	2LIG	0.72
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.79
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.79
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.79
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.71
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.73
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.77
MYT	METYRAPONE	A	1PHG	0.71
MYT	METYRAPONE	A	1W0G	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.77
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.75
PYS	2-PYRIDINETHIOL	A	2IPP	0.75
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	0.84
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.84
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.84
ISQ	ISOQUINOLINE	A	1GDK	0.78
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.85
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.71
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.71
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.76
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.78
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.75
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.7
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.8
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.87
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.79
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.79
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.73
4AP	4-AMINOPYRIDINE	A	1AEG	0.74
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.71
MIL	MILRINONE	A,B	1TLM	0.8
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.75
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.74
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.8