Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03245555

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	0.89
3MP	3-METHYLPYRIDINE	A	1BM6	0.89
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.78
PHN	1,10-PHENANTHROLINE	A	1LIH	0.73
PHN	1,10-PHENANTHROLINE	A	2LIG	0.73
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.73
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.72
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
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
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
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine	A,C,D,E	2ZJU	0.72
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine	A,B,C,D	3C79	0.72
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.71
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.71
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.75
4AP	4-AMINOPYRIDINE	A	1AEG	0.76
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.83
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.73
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.71
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.76
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.83
2AP	2-AMINOPYRIDINE	A	1AEO	0.72
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.84
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.72
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.74
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7S	0.7
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7M	0.7
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B,C,D	3E7G	0.7
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.79
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.79
D4G		A,B,C,D	2FDY	0.77
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.8
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.8
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.8
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.7
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.8
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.76
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.73
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	0.87
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.87
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.87
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.75
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.74
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.7
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.73
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.84
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.84
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.77
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.78
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.73
3AP	3-AMINOPYRIDINE	A	1AEF	0.76
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.8
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.8
MIL	MILRINONE	A,B	1TLM	0.76
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.73
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.8
MYT	METYRAPONE	A	1PHG	0.72
MYT	METYRAPONE	A	1W0G	0.72
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.72
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.73
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.81
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.88
NCA	NICOTINAMIDE	A,B	2E5D	0.76
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.76
NCA	NICOTINAMIDE	A,B	1DMA	0.76
NCA	NICOTINAMIDE	A,B	1ISM	0.76
NCA	NICOTINAMIDE	A,B	1YC5	0.76
NCA	NICOTINAMIDE	A	2ZB7	0.76
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.76
NCA	NICOTINAMIDE	A,B	2QQG	0.76
NCA	NICOTINAMIDE	A	2OTV	0.76
NCA	NICOTINAMIDE	A	2QHF	0.76
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.76
NCA	NICOTINAMIDE	A,B	2HJH	0.76
NCA	NICOTINAMIDE	A	2A15	0.76
NCA	NICOTINAMIDE	A	2R6V	0.76
NCA	NICOTINAMIDE	A,B	1ISI	0.76
NCA	NICOTINAMIDE	A,D,E	2R9J	0.76
NCA	NICOTINAMIDE	A	2H4J	0.76
NCA	NICOTINAMIDE	A,B	2OD9	0.76
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.76
NCA	NICOTINAMIDE	A,B	3DZG	0.76
NCA	NICOTINAMIDE	A	1OJU	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.76
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.78
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.77
PYS	2-PYRIDINETHIOL	A	2IPP	0.77
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.7
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.74
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
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.86