Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02815397

Ligand	Ligand name	Chain	PDB	Tanimoto
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.72
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.78
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate	A	2W0B	0.7
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.77
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.72
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.74
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.77
MIL	MILRINONE	A,B	1TLM	0.77
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.76
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.71
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.7
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
PRL	PROFLAVIN	H,I	1BCU	0.73
PRL	PROFLAVIN	A,B,D,E	1QVT	0.73
PRL	PROFLAVIN	A,B	2KD4	0.73
PRL	PROFLAVIN	A	1QVU	0.73
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	0.74
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.83
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.75
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.75
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.77
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.79
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	0.9
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.9
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.9
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.82
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.82
NCA	NICOTINAMIDE	A,B	2E5D	0.74
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.74
NCA	NICOTINAMIDE	A,B	1DMA	0.74
NCA	NICOTINAMIDE	A,B	1ISM	0.74
NCA	NICOTINAMIDE	A,B	1YC5	0.74
NCA	NICOTINAMIDE	A	2ZB7	0.74
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.74
NCA	NICOTINAMIDE	A,B	2QQG	0.74
NCA	NICOTINAMIDE	A	2OTV	0.74
NCA	NICOTINAMIDE	A	2QHF	0.74
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.74
NCA	NICOTINAMIDE	A,B	2HJH	0.74
NCA	NICOTINAMIDE	A	2A15	0.74
NCA	NICOTINAMIDE	A	2R6V	0.74
NCA	NICOTINAMIDE	A,B	1ISI	0.74
NCA	NICOTINAMIDE	A,D,E	2R9J	0.74
NCA	NICOTINAMIDE	A	2H4J	0.74
NCA	NICOTINAMIDE	A,B	2OD9	0.74
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.74
NCA	NICOTINAMIDE	A,B	3DZG	0.74
NCA	NICOTINAMIDE	A	1OJU	0.74
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.71
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.72
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.74
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.76
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.7
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.77
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.77
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.76
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.78
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.7
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.87
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.72
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.77
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.82
2AP	2-AMINOPYRIDINE	A	1AEO	0.72
3AP	3-AMINOPYRIDINE	A	1AEF	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.79
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.76
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.74
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.7
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.91
3MP	3-METHYLPYRIDINE	A	1BM6	0.91
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
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.85
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.77
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.72
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.75
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	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
D4G		A,B,C,D	2FDY	0.8
PHN	1,10-PHENANTHROLINE	A	1LIH	0.8
PHN	1,10-PHENANTHROLINE	A	2LIG	0.8
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.8
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.84
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.73
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.85
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.73
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.75
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.73
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE	A,B	2IGY	0.71
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.72
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.86
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.71
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.77
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.74
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.74
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.77
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE	A	1CVZ	0.72
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE	A,B	2QXM	0.71
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE	A	1HZ0	0.71
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.8
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.72
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.7
ISQ	ISOQUINOLINE	A	1GDK	0.92
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.73
DEQ	DEQUALINIUM	A	1OYD	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.73
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.73
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.77
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.77
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.77
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.77
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.77
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.76
MYT	METYRAPONE	A	1PHG	0.77
MYT	METYRAPONE	A	1W0G	0.77
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.81
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.81
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.8
NTN	ISONICOTINAMIDINE	A	7ADH	0.84
THA	TACRINE	A,B	2AOW	0.75
THA	TACRINE	A,B,C,D,E,F	1MX1	0.75
THA	TACRINE	A,B	2AOX	0.75
THA	TACRINE	A	1ACJ	0.75
580	3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE	A	1RW8	0.71
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.79
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.79
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.72
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.7
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.75
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.77
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.77
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.73
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.73
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.73
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.78
PYS	2-PYRIDINETHIOL	A	2IPP	0.78
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.74
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	2ZD1	0.7
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A	2ZE2	0.7
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	3BGR	0.7
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.73
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.76
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.74
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.74
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.78
4AP	4-AMINOPYRIDINE	A	1AEG	0.75
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.8
MGR	MALACHITE GREEN	A,B	3BQZ	0.7
MGR	MALACHITE GREEN	A	1Q8N	0.7
MGR	MALACHITE GREEN	A,B	3BR0	0.7
MGR	MALACHITE GREEN	A,D,E	3BTL	0.7
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.7
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.7
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.8
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.73
IND	INDOLE	A	1L4H	0.76
IND	INDOLE	A,B,G	1O7N	0.76
IND	INDOLE	A	185L	0.76
IND	INDOLE	A,B	1EG9	0.76
IND	INDOLE	A,B	1UUV	0.76
IND	INDOLE	A,C,E	2B24	0.76
IND	INDOLE	A,B,C,D,E,F	2P85	0.76