Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004526

Ligand	Ligand name	Chain	PDB	Tanimoto
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.73
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.73
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
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.76
MPI	IMIDAZO[1,2-A]PYRIDINE	A	1AEM	0.79
IP6	N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE	A	2OHT	0.73
STS	2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM	A	1Y8J	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.83
2AP	2-AMINOPYRIDINE	A	1AEO	0.93
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.74
9DA	9-DEAZAADENINE	A	1L1R	0.74
9DA	9-DEAZAADENINE	A	1L1Q	0.74
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.93
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.73
JI3	N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE	A,B	3B3O	0.7
JI3	N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE	A,B	3DQS	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.87
CPZ	4-(4-CHLOROPHENYL)IMIDAZOLE	A	1SUO	0.71
218	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM	A	2HOP	0.7
4AP	4-AMINOPYRIDINE	A	1AEG	0.81
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.79
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.74
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.77
CDB	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE	B,C	1MU8	0.71
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.71
NCA	NICOTINAMIDE	A,B	2E5D	0.7
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.7
NCA	NICOTINAMIDE	A,B	1DMA	0.7
NCA	NICOTINAMIDE	A,B	1ISM	0.7
NCA	NICOTINAMIDE	A,B	1YC5	0.7
NCA	NICOTINAMIDE	A	2ZB7	0.7
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.7
NCA	NICOTINAMIDE	A,B	2QQG	0.7
NCA	NICOTINAMIDE	A	2OTV	0.7
NCA	NICOTINAMIDE	A	2QHF	0.7
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.7
NCA	NICOTINAMIDE	A,B	2HJH	0.7
NCA	NICOTINAMIDE	A	2A15	0.7
NCA	NICOTINAMIDE	A	2R6V	0.7
NCA	NICOTINAMIDE	A,B	1ISI	0.7
NCA	NICOTINAMIDE	A,D,E	2R9J	0.7
NCA	NICOTINAMIDE	A	2H4J	0.7
NCA	NICOTINAMIDE	A,B	2OD9	0.7
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.7
NCA	NICOTINAMIDE	A,B	3DZG	0.7
NCA	NICOTINAMIDE	A	1OJU	0.7
MIL	MILRINONE	A,B	1TLM	0.74
HM2	5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE	A	2G6P	0.73
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
1BY	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)	A,B	2I19	0.81
C4E	N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine	A,B,C,D	3C4E	0.77
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.85
JI7	N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine	A,B	3B3P	0.7
JI7	N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine	A,B	3DQT	0.7
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.71
PYS	2-PYRIDINETHIOL	A	2IPP	0.71
G44	4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE	C,D	2PKS	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	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.76
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.73
M05	4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium	A	2VO7	0.7
M05	4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium	A	2VO6	0.7
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.79
ABI	5-AMIDINO-BENZIMIDAZOLE	A	1C2K	0.71
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.79
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.75
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.74
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.71
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.71
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	2D0T	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1E9X	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHD	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A,B,C,D	2RFC	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1ODO	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	3E5K	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHE	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	1F4T	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1S1F	0.76
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHF	0.76
3MP	3-METHYLPYRIDINE	A	1EUB	0.8
3MP	3-METHYLPYRIDINE	A	1BM6	0.8
3AP	3-AMINOPYRIDINE	A	1AEF	0.79
CBQ	[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1S	0.76
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.78
ISQ	ISOQUINOLINE	A	1GDK	0.72
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	2ZD1	0.74
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A	2ZE2	0.74
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	3BGR	0.74
SCE	3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	A	2R3H	0.76
SCF	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	A	2R3I	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.73
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.8
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.72
UI2	8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE	A	1SQO	0.71
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.72
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	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
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE	A,B	2QXM	0.71
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE	A	1HZ0	0.71
5MB	5-METHYLBENZIMIDAZOLE	A	1JHM	0.72
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7S	0.79
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7M	0.79
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B,C,D	3E7G	0.79
M04	1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine	A	2VO3	0.7
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.7
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.83
CQU	N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	A	3CQU	0.73
D4G		A,B,C,D	2FDY	0.71
A11	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E6L	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.95
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.95
GVH	1H-PYRROLO[2,3-B]PYRIDINE	A	2UVX	0.84
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
SC9	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	A	2R3G	0.71
FYX	4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE	A,B	1V97	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.73
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.76
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.76
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
P5C	2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide	A	3FQE	0.71