Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676495

Ligand	Ligand name	Chain	PDB	Tanimoto
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.7
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	0.83
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.83
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.83
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.79
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE	A	1CVZ	0.71
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.71
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.71
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.73
THA	TACRINE	A,B	2AOW	0.71
THA	TACRINE	A,B,C,D,E,F	1MX1	0.71
THA	TACRINE	A,B	2AOX	0.71
THA	TACRINE	A	1ACJ	0.71
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.75
SCE	3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	A	2R3H	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.8
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.78
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.83
2AP	2-AMINOPYRIDINE	A	1AEO	0.73
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.82
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.72
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
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
RBU		A,B	1BEX	0.72
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.73
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.91
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.91
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.78
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.71
MIL	MILRINONE	A,B	1TLM	0.73
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.71
JNF	N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine	A	3CGF	0.72
ISQ	ISOQUINOLINE	A	1GDK	0.8
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.79
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.72
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3B3N	0.71
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3DQR	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.88
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.88
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.75
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.75
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.74
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
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.76
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.88
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.72
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.71
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.72
HM2	5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE	A	2G6P	0.71
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.71
4AP	4-AMINOPYRIDINE	A	1AEG	0.78
PHN	1,10-PHENANTHROLINE	A	1LIH	0.82
PHN	1,10-PHENANTHROLINE	A	2LIG	0.82
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.82
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.75
3MP	3-METHYLPYRIDINE	A	1EUB	0.82
3MP	3-METHYLPYRIDINE	A	1BM6	0.82
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.72
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.72
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.72
DEQ	DEQUALINIUM	A	1OYD	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.72
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.72
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
NTN	ISONICOTINAMIDINE	A	7ADH	0.78
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.73
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.76
D4G		A,B,C,D	2FDY	0.83
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.74
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	0.75
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.74
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.91
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.72
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.74
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.82
3AP	3-AMINOPYRIDINE	A	1AEF	0.82
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.78
PYS	2-PYRIDINETHIOL	A	2IPP	0.78
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.82
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	0.71
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.71
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.76
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.71
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
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.71
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
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