Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00101017

Ligand	Ligand name	Chain	PDB	Tanimoto
9DA	9-DEAZAADENINE	A	1L1R	0.73
9DA	9-DEAZAADENINE	A	1L1Q	0.73
D4G		A,B,C,D	2FDY	0.73
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.73
SB4	4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE	A	1BL7	0.72
SB4	4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE	A	3ERK	0.72
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.76
MIL	MILRINONE	A,B	1TLM	0.72
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	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
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.77
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.72
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.7
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.75
2AP	2-AMINOPYRIDINE	A	1AEO	0.75
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
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	0.8
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.8
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.8
IND	INDOLE	A	1L4H	0.75
IND	INDOLE	A,B,G	1O7N	0.75
IND	INDOLE	A	185L	0.75
IND	INDOLE	A,B	1EG9	0.75
IND	INDOLE	A,B	1UUV	0.75
IND	INDOLE	A,C,E	2B24	0.75
IND	INDOLE	A,B,C,D,E,F	2P85	0.75
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.71
RBU		A,B	1BEX	0.73
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
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.79
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.79
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.75
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.75
JI1	3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol	A,B	3B3M	0.7
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
JNF	N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine	A	3CGF	0.7
AYM	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE	A,B	1LXC	0.7
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.74
PHN	1,10-PHENANTHROLINE	A	1LIH	0.7
PHN	1,10-PHENANTHROLINE	A	2LIG	0.7
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.7
SCE	3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	A	2R3H	0.74
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.7
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	2D0T	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1E9X	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHD	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A,B,C,D	2RFC	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1ODO	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	3E5K	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHE	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	1F4T	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1S1F	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHF	0.71
4AP	4-AMINOPYRIDINE	A	1AEG	0.8
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.75
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.88
MPI	IMIDAZO[1,2-A]PYRIDINE	A	1AEM	0.72
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.73
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.73
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.7
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.7
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.85
MR3	1-METHYL-1H-PYRROLE	X	2OU0	0.71
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3B3N	0.75
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3DQR	0.75
CDA	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU6	0.72
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.71
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE	A	1CVZ	0.72
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.93
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.73
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.73
3AP	3-AMINOPYRIDINE	A	1AEF	0.83
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.74
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.74
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.74
P83	1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine	A,B	2VUK	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
34Q	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine	A	2RIP	0.7
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.76
3MP	3-METHYLPYRIDINE	A	1BM6	0.76
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.74
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.75
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.72
PYS	2-PYRIDINETHIOL	A	2IPP	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.87
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.87
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.7
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.72