Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00405185

Ligand	Ligand name	Chain	PDB	Tanimoto
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.7
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.74
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.73
5MS	N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide	A	3EXO	0.71
NTN	ISONICOTINAMIDINE	A	7ADH	0.79
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7S	0.74
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E7M	0.74
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B,C,D	3E7G	0.74
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.74
3MP	3-METHYLPYRIDINE	A	1BM6	0.74
D4G		A,B,C,D	2FDY	0.74
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.8
1BY	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)	A,B	2I19	0.82
CBQ	[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1S	0.77
2AP	2-AMINOPYRIDINE	A	1AEO	0.85
3AP	3-AMINOPYRIDINE	A	1AEF	0.74
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.75
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.72
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.86
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	2ZD1	0.71
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A	2ZE2	0.71
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	3BGR	0.71
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.85
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.76
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.78
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.78
LZ4	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide	A	2VTJ	0.73
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3B3N	0.74
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3DQR	0.74
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.75
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.77
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.77
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.77
U55	4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE	A	1JSV	0.75
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.71
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.75
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.73
PYS	2-PYRIDINETHIOL	A	2IPP	0.73
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.7
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.85
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.85
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.74
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.74
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.71
PY8	6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE	A	2J9M	0.74
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.71
A11	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	A,B	3E6L	0.73
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.73
P1E	4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide	A	3H3C	0.7
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.73
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.73
GVH	1H-PYRROLO[2,3-B]PYRIDINE	A	2UVX	0.73
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	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	0.72
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.72
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.72
4AP	4-AMINOPYRIDINE	A	1AEG	0.74
MPI	IMIDAZO[1,2-A]PYRIDINE	A	1AEM	0.73
SX2	4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid	A,B	3CJ0	0.72
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.81
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.72
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.72
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.72
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.72