Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008342

Ligand	Ligand name	Chain	PDB	Tanimoto
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.79
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.79
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
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
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.83
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.84
MR3	1-METHYL-1H-PYRROLE	X	2OU0	0.7
5MP	5-METHYLPYRROLE	A	1LI6	0.7
MIL	MILRINONE	A,B	1TLM	0.78
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.73
4AP	4-AMINOPYRIDINE	A	1AEG	0.81
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.76
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
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
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.72
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
3MP	3-METHYLPYRIDINE	A	1EUB	0.97
3MP	3-METHYLPYRIDINE	A	1BM6	0.97
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.87
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.87
2AP	2-AMINOPYRIDINE	A	1AEO	0.77
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.76
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.76
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
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.83
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.73
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.71
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
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.72
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.76
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
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
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.71
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.7
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.7
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.7
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.91
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.83
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.83
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.83
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.83
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.83
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.83
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.83
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.83
GVH	1H-PYRROLO[2,3-B]PYRIDINE	A	2UVX	0.7
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.84
PYS	2-PYRIDINETHIOL	A	2IPP	0.84
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.86
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.76
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.72
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.78
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.83
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.73
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.8
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.71
D4G		A,B,C,D	2FDY	0.81
1BY	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)	A,B	2I19	0.7
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.72
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.79
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.76
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.76
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.76
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.83
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.79
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.71
3AP	3-AMINOPYRIDINE	A	1AEF	0.8
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.77
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.9
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.86