Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02443205

Ligand	Ligand name	Chain	PDB	Tanimoto
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.71
IND	INDOLE	A	1L4H	0.74
IND	INDOLE	A,B,G	1O7N	0.74
IND	INDOLE	A	185L	0.74
IND	INDOLE	A,B	1EG9	0.74
IND	INDOLE	A,B	1UUV	0.74
IND	INDOLE	A,C,E	2B24	0.74
IND	INDOLE	A,B,C,D,E,F	2P85	0.74
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
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.71
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YV5	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	1RQJ	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YQ7	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	1YHL	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A	2QIS	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID	A,B	2O1O	0.73
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.73
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.7
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
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.76
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	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.82
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.74
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
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.88
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.7
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.72
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.82
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.71
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.73
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.73
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.7
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.74
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.71
MOJ	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	A	3FT8	0.76
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.75
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.71
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.7
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.76
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.71
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.77
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.7
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.7
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.7
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.7
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.7
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.7
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.77
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.77
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.81
3MP	3-METHYLPYRIDINE	A	1EUB	0.78
3MP	3-METHYLPYRIDINE	A	1BM6	0.78
D4G		A,B,C,D	2FDY	0.7
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.71
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.73
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.77
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.77
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.74
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
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.75
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.81
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
CKI	N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE	A	2CSN	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.77
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.77
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium	A,B	2WHR	0.74
ISQ	ISOQUINOLINE	A	1GDK	0.9
246	1-benzyl-3-(2-chloropyridin-4-yl)urea	A	2QPM	0.72
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.74
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.75
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.71
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.78
MYT	METYRAPONE	A	1PHG	0.71
MYT	METYRAPONE	A	1W0G	0.71
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.79
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
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.78
LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine	A,B	2V5A	0.71
LG1	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	A,B,D	1NZM	0.72
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.77
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.76
PYN	3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE	A,B	1L1H	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.84
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.84
736	(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE	B	2BED	0.71
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.7
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.7
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2G	0.72
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2H	0.72
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2HKC	0.72
L1B	7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM	A,B	2G21	0.73
DCU		A,B	1J07	0.76
THA	TACRINE	A,B	2AOW	0.78
THA	TACRINE	A,B,C,D,E,F	1MX1	0.78
THA	TACRINE	A,B	2AOX	0.78
THA	TACRINE	A	1ACJ	0.78
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	E	1YDT	0.72
IQB	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE	A	3FMD	0.72
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.84
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.76
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.82
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.72
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.81
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.77
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.77
DEQ	DEQUALINIUM	A	1OYD	0.77
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.77
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.77
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.77
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.77
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.77
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.77
3B3	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	A	2CGV	0.75
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
MIL	MILRINONE	A,B	1TLM	0.71
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
PHN	1,10-PHENANTHROLINE	A	1LIH	0.83
PHN	1,10-PHENANTHROLINE	A	2LIG	0.83
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.83
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.72
GW3	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	A,B	1AOE	0.72
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.74
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.73
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.83
P83	1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine	A,B	2VUK	0.71
CDD	2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE	B,C	1MUE	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.79
PRL	PROFLAVIN	H,I	1BCU	0.76
PRL	PROFLAVIN	A,B,D,E	1QVT	0.76
PRL	PROFLAVIN	A,B	2KD4	0.76
PRL	PROFLAVIN	A	1QVU	0.76
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.72
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.77
TZ4	3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM	A,B	1Q84	0.7
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.8
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.71
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	1Q8U	0.73
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A,B	3D9V	0.73
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNH	0.73
H52	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	A	2GNL	0.73
NTN	ISONICOTINAMIDINE	A	7ADH	0.75
NCQ	3,6-Bis[3-(azepan-1-yl)propionamido]acridine	A,B	3EUM	0.7
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.77
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.77
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.77
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.77
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
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	0.75
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.75
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.73
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.73
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.75
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.72
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.72