Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010703

Ligand	Ligand name	Chain	PDB	Tanimoto
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.71
4AP	4-AMINOPYRIDINE	A	1AEG	0.79
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
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
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.72
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.81
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.79
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.79
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.79
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
3MP	3-METHYLPYRIDINE	A	1EUB	0.96
3MP	3-METHYLPYRIDINE	A	1BM6	0.96
MIL	MILRINONE	A,B	1TLM	0.78
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.74
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.81
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.87
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.75
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.72
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.72
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.79
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.73
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.75
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.7
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.71
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.7
NCA	NICOTINAMIDE	A,B	2E5D	0.77
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.77
NCA	NICOTINAMIDE	A,B	1DMA	0.77
NCA	NICOTINAMIDE	A,B	1ISM	0.77
NCA	NICOTINAMIDE	A,B	1YC5	0.77
NCA	NICOTINAMIDE	A	2ZB7	0.77
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.77
NCA	NICOTINAMIDE	A,B	2QQG	0.77
NCA	NICOTINAMIDE	A	2OTV	0.77
NCA	NICOTINAMIDE	A	2QHF	0.77
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.77
NCA	NICOTINAMIDE	A,B	2HJH	0.77
NCA	NICOTINAMIDE	A	2A15	0.77
NCA	NICOTINAMIDE	A	2R6V	0.77
NCA	NICOTINAMIDE	A,B	1ISI	0.77
NCA	NICOTINAMIDE	A,D,E	2R9J	0.77
NCA	NICOTINAMIDE	A	2H4J	0.77
NCA	NICOTINAMIDE	A,B	2OD9	0.77
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.77
NCA	NICOTINAMIDE	A,B	3DZG	0.77
NCA	NICOTINAMIDE	A	1OJU	0.77
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.8
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	0.88
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.88
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.88
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.72
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.7
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.72
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.75
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.75
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.82
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.82
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.8
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.8
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.8
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.8
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.8
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.8
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.7
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.7
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.76
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.73
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.72
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.82
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.76
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.75
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.75
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.75
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.72
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.85
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.81
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.79
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.84
MYT	METYRAPONE	A	1PHG	0.75
MYT	METYRAPONE	A	1W0G	0.75
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.78
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.86
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.86
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
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
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.78
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.81
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.74
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.7
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.9
NTN	ISONICOTINAMIDINE	A	7ADH	0.89
IND	INDOLE	A	1L4H	0.71
IND	INDOLE	A,B,G	1O7N	0.71
IND	INDOLE	A	185L	0.71
IND	INDOLE	A,B	1EG9	0.71
IND	INDOLE	A,B	1UUV	0.71
IND	INDOLE	A,C,E	2B24	0.71
IND	INDOLE	A,B,C,D,E,F	2P85	0.71