Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044918

Ligand	Ligand name	Chain	PDB	Tanimoto
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.7
CK8	N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE	A,C	2C5N	0.73
CK8	N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE	A	1PXP	0.73
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.72
D26	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE	A,B,C,D	2VCX	0.73
4AP	4-AMINOPYRIDINE	A	1AEG	0.71
NTN	ISONICOTINAMIDINE	A	7ADH	0.71
NHB	N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE	A,B	1W22	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.71
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.76
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.7
3MP	3-METHYLPYRIDINE	A	1BM6	0.7
D4G		A,B,C,D	2FDY	0.78
L22	4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine	A,B	2W70	0.71
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.76
PYS	2-PYRIDINETHIOL	A	2IPP	0.76
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.75
654	4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE	A,B	1I2Z	0.72
THZ	BENZOTHIAZOLE	H,I,R	1TBZ	0.76
THZ	BENZOTHIAZOLE	H,I,R	1B5G	0.76
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.7
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.7
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.83
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.83
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.83
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.76
CK2	4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE	A,C	2C5O	0.75
CK2	4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE	A	1PXJ	0.75
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.72
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	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.74
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.71
3AP	3-AMINOPYRIDINE	A	1AEF	0.71
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.74
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.73
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.77
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.7
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.7
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.7
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.79
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.79
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.73
CK3	N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE	A	1PXK	0.72
CK1	4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE	A	1PXI	0.73