Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03251089

Ligand	Ligand name	Chain	PDB	Tanimoto
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.85
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.71
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.71
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.71
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.85
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.76
MIL	MILRINONE	A,B	1TLM	0.77
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.72
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
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
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.79
MR3	1-METHYL-1H-PYRROLE	X	2OU0	0.72
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.74
3AP	3-AMINOPYRIDINE	A	1AEF	0.78
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.82
PYS	2-PYRIDINETHIOL	A	2IPP	0.82
PHN	1,10-PHENANTHROLINE	A	1LIH	0.74
PHN	1,10-PHENANTHROLINE	A	2LIG	0.74
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.74
2AP	2-AMINOPYRIDINE	A	1AEO	0.75
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.83
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.83
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.79
NTN	ISONICOTINAMIDINE	A	7ADH	0.87
3MP	3-METHYLPYRIDINE	A	1EUB	0.96
3MP	3-METHYLPYRIDINE	A	1BM6	0.96
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.8
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.8
IND	INDOLE	A	1L4H	0.72
IND	INDOLE	A,B,G	1O7N	0.72
IND	INDOLE	A	185L	0.72
IND	INDOLE	A,B	1EG9	0.72
IND	INDOLE	A,B	1UUV	0.72
IND	INDOLE	A,C,E	2B24	0.72
IND	INDOLE	A,B,C,D,E,F	2P85	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.78
NCA	NICOTINAMIDE	A,B	2E5D	0.78
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.78
NCA	NICOTINAMIDE	A,B	1DMA	0.78
NCA	NICOTINAMIDE	A,B	1ISM	0.78
NCA	NICOTINAMIDE	A,B	1YC5	0.78
NCA	NICOTINAMIDE	A	2ZB7	0.78
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.78
NCA	NICOTINAMIDE	A,B	2QQG	0.78
NCA	NICOTINAMIDE	A	2OTV	0.78
NCA	NICOTINAMIDE	A	2QHF	0.78
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.78
NCA	NICOTINAMIDE	A,B	2HJH	0.78
NCA	NICOTINAMIDE	A	2A15	0.78
NCA	NICOTINAMIDE	A	2R6V	0.78
NCA	NICOTINAMIDE	A,B	1ISI	0.78
NCA	NICOTINAMIDE	A,D,E	2R9J	0.78
NCA	NICOTINAMIDE	A	2H4J	0.78
NCA	NICOTINAMIDE	A,B	2OD9	0.78
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.78
NCA	NICOTINAMIDE	A,B	3DZG	0.78
NCA	NICOTINAMIDE	A	1OJU	0.78
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.71
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.72
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.72
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.79
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.75
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.71
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.75
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.79
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.72
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.8
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.8
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.76
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.72
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.78
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.76
MYT	METYRAPONE	A	1PHG	0.74
MYT	METYRAPONE	A	1W0G	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.76
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.82
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.82
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.85
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.7
DEQ	DEQUALINIUM	A	1OYD	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.7
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.79
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.74
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.7
4AP	4-AMINOPYRIDINE	A	1AEG	0.78
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.72
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	0.89
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.89
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.89
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.7
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.84
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.84
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.84
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.71
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.7
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.77
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.73
D4G		A,B,C,D	2FDY	0.81
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.73
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.79
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.73
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.72
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.91
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.71
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.79
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.79
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.79
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.83
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.9
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.85
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.74