Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02838447

Ligand	Ligand name	Chain	PDB	Tanimoto
NCA	NICOTINAMIDE	A,B	2E5D	0.75
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.75
NCA	NICOTINAMIDE	A,B	1DMA	0.75
NCA	NICOTINAMIDE	A,B	1ISM	0.75
NCA	NICOTINAMIDE	A,B	1YC5	0.75
NCA	NICOTINAMIDE	A	2ZB7	0.75
NCA	NICOTINAMIDE	A,B,C,D,E,F,G,H	1R15	0.75
NCA	NICOTINAMIDE	A,B	2QQG	0.75
NCA	NICOTINAMIDE	A	2OTV	0.75
NCA	NICOTINAMIDE	A	2QHF	0.75
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.75
NCA	NICOTINAMIDE	A,B	2HJH	0.75
NCA	NICOTINAMIDE	A	2A15	0.75
NCA	NICOTINAMIDE	A	2R6V	0.75
NCA	NICOTINAMIDE	A,B	1ISI	0.75
NCA	NICOTINAMIDE	A,D,E	2R9J	0.75
NCA	NICOTINAMIDE	A	2H4J	0.75
NCA	NICOTINAMIDE	A,B	2OD9	0.75
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.75
NCA	NICOTINAMIDE	A,B	3DZG	0.75
NCA	NICOTINAMIDE	A	1OJU	0.75
PRL	PROFLAVIN	H,I	1BCU	0.75
PRL	PROFLAVIN	A,B,D,E	1QVT	0.75
PRL	PROFLAVIN	A,B	2KD4	0.75
PRL	PROFLAVIN	A	1QVU	0.75
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.71
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.75
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.77
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.75
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.74
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.77
C48	N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE	A	1CVZ	0.71
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.76
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.7
DA1	PYRIDINE-2,5-DIAMINE	A	2AQD	0.72
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.81
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.74
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.83
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
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.8
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.8
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.73
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.73
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.73
DCU		A,B	1J07	0.7
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.71
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.71
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.86
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.79
LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine	A,B	2V5A	0.72
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
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.75
SM5	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	A,B	3D4Q	0.71
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.87
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.8
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.81
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.74
IND	INDOLE	A	1L4H	0.77
IND	INDOLE	A,B,G	1O7N	0.77
IND	INDOLE	A	185L	0.77
IND	INDOLE	A,B	1EG9	0.77
IND	INDOLE	A,B	1UUV	0.77
IND	INDOLE	A,C,E	2B24	0.77
IND	INDOLE	A,B,C,D,E,F	2P85	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.78
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.78
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.7
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.87
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.77
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.77
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.77
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.77
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.73
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.77
SB5	4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE	A	1BMK	0.71
2AP	2-AMINOPYRIDINE	A	1AEO	0.72
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.88
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.73
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	2ZD1	0.71
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A	2ZE2	0.71
T27	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	A,B	3BGR	0.71
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.79
3AP	3-AMINOPYRIDINE	A	1AEF	0.75
580	3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE	A	1RW8	0.72
SC9	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine	A	2R3G	0.7
245	1-(2-chloropyridin-4-yl)-3-phenylurea	A	2QKN	0.71
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.71
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.74
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.79
PYS	2-PYRIDINETHIOL	A	2IPP	0.79
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.76
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.76
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.76
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.76
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.76
MIL	MILRINONE	A,B	1TLM	0.75
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.84
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.75
3MP	3-METHYLPYRIDINE	A	1EUB	0.9
3MP	3-METHYLPYRIDINE	A	1BM6	0.9
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.8
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.76
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.74
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.73
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.76
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.71
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.75
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.75
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.75
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.75
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.81
THA	TACRINE	A,B	2AOW	0.77
THA	TACRINE	A,B,C,D,E,F	1MX1	0.77
THA	TACRINE	A,B	2AOX	0.77
THA	TACRINE	A	1ACJ	0.77
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.82
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.72
UI2	8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE	A	1SQO	0.71
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.79
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE	A,B	2IGY	0.71
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.8
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.8
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
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.72
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.77
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
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	0.89
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.89
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.89
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
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.71
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.81
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.78
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.78
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.71
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.73
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.83
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.78
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.74
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.76
AS3	4-METHYL-6-PROPYLPYRIDIN-2-AMINE	A,B	3E6N	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.71
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.72
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.74
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.72
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.75
XMK	1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE	A	1IQM	0.7
ISQ	ISOQUINOLINE	A	1GDK	0.93
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.78
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	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
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.78
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.78
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.76
4AP	4-AMINOPYRIDINE	A	1AEG	0.75
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.74
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.74
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.74
D4G		A,B,C,D	2FDY	0.79
NTN	ISONICOTINAMIDINE	A	7ADH	0.85
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.77
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.77
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.77
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.81
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.76
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.75
MYT	METYRAPONE	A	1PHG	0.78
MYT	METYRAPONE	A	1W0G	0.78