Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01821580

Ligand	Ligand name	Chain	PDB	Tanimoto
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.93
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.93
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.71
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.83
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.76
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
2AP	2-AMINOPYRIDINE	A	1AEO	0.75
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.74
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	0.79
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.79
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.79
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.71
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
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.75
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.76
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.76
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.73
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.74
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.7
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
D4G		A,B,C,D	2FDY	0.77
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.77
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.7
26D	PYRIDINE-2,6-DIAMINE	A	2ANZ	0.7
NCA	NICOTINAMIDE	A,B	2E5D	0.72
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.72
NCA	NICOTINAMIDE	A,B	1DMA	0.72
NCA	NICOTINAMIDE	A,B	1ISM	0.72
NCA	NICOTINAMIDE	A,B	1YC5	0.72
NCA	NICOTINAMIDE	A	2ZB7	0.72
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.72
NCA	NICOTINAMIDE	A,B	2QQG	0.72
NCA	NICOTINAMIDE	A	2OTV	0.72
NCA	NICOTINAMIDE	A	2QHF	0.72
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.72
NCA	NICOTINAMIDE	A,B	2HJH	0.72
NCA	NICOTINAMIDE	A	2A15	0.72
NCA	NICOTINAMIDE	A	2R6V	0.72
NCA	NICOTINAMIDE	A,B	1ISI	0.72
NCA	NICOTINAMIDE	A,D,E	2R9J	0.72
NCA	NICOTINAMIDE	A	2H4J	0.72
NCA	NICOTINAMIDE	A,B	2OD9	0.72
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.72
NCA	NICOTINAMIDE	A,B	3DZG	0.72
NCA	NICOTINAMIDE	A	1OJU	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.87
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.87
4AP	4-AMINOPYRIDINE	A	1AEG	0.8
IND	INDOLE	A	1L4H	0.7
IND	INDOLE	A,B,G	1O7N	0.7
IND	INDOLE	A	185L	0.7
IND	INDOLE	A,B	1EG9	0.7
IND	INDOLE	A,B	1UUV	0.7
IND	INDOLE	A,C,E	2B24	0.7
IND	INDOLE	A,B,C,D,E,F	2P85	0.7
MIL	MILRINONE	A,B	1TLM	0.75
NTN	ISONICOTINAMIDINE	A	7ADH	0.8
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.75
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE	A	2V0D	0.76
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
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.75
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.72
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.74
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.89
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.76
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.71
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.84
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.9
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
3AP	3-AMINOPYRIDINE	A	1AEF	0.83
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.71
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
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.81
3MP	3-METHYLPYRIDINE	A	1BM6	0.81
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.76
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
ISQ	ISOQUINOLINE	A	1GDK	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	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.75
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.75
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.72
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.7
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.73
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.77
PYS	2-PYRIDINETHIOL	A	2IPP	0.77
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.71
1BY	[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)	A,B	2I19	0.72
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.8
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3B3N	0.7
JI2	N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine	A,B	3DQR	0.7
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.79