Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03285480

Ligand	Ligand name	Chain	PDB	Tanimoto
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.79
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
3LP	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL	A,B,C,D,E,F	2P6G	0.71
PHN	1,10-PHENANTHROLINE	A	1LIH	0.74
PHN	1,10-PHENANTHROLINE	A	2LIG	0.74
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.74
NTN	ISONICOTINAMIDINE	A	7ADH	0.76
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	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	0.8
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.8
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.8
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.71
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.73
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.71
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.7
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.71
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.76
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	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
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.73
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.73
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.72
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.74
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.72
TPL	TRYPTOPHANOL	A	1EE7	0.72
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2DV2	0.72
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2FXJ	0.72
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.78
D4G		A,B,C,D	2FDY	0.72
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.77
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.86
MYT	METYRAPONE	A	1PHG	0.74
MYT	METYRAPONE	A	1W0G	0.74
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.7
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.7
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.71
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.74
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.76
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.75
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.75
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.76
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
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.81
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.77
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.71
MIL	MILRINONE	A,B	1TLM	0.71
DRP	2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MONOPHOSPHATE	A,B	1JES	0.7
3B3	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	A	2CGV	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.76
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.76
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.77
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
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.81
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.77
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.78
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.78
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.73
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.77
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.7
PYS	2-PYRIDINETHIOL	A	2IPP	0.7
ISQ	ISOQUINOLINE	A	1GDK	0.84
89I	5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE	A,B	2I6B	0.7
I10	1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	A	1BGO	0.7
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.7
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.7
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.74
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.75
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
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.73
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.79
3MP	3-METHYLPYRIDINE	A	1BM6	0.79
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.74