Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005536

Ligand	Ligand name	Chain	PDB	Tanimoto
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2DV2	0.73
TOX	2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL	A,B	2FXJ	0.73
GW3	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	A,B	1AOE	0.71
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.7
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE	A,B,C,D	1WOK	0.7
PYN	3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE	A,B	1L1H	0.71
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.76
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.73
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.76
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.77
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.8
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.73
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.75
4AP	4-AMINOPYRIDINE	A	1AEG	0.71
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.78
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.77
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.71
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.71
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.72
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.76
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.83
A2E	(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE	A,B	1ZGC	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.8
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.74
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.73
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.88
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.73
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
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.82
LG1	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	A,B,D	1NZM	0.71
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.78
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
HUX	3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE	A	1E66	0.71
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.75
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.71
P83	1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine	A,B	2VUK	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.79
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.79
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.71
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.84
NCL	3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine	A,B	3ET8	0.7
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.79
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.75
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.72
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
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.79
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.8
LIG	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	P	1JVP	0.72
RBS	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE	A,B	2HWO	0.7
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.71
PYS	2-PYRIDINETHIOL	A	2IPP	0.71
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.77
THA	TACRINE	A,B	2AOW	0.82
THA	TACRINE	A,B,C,D,E,F	1MX1	0.82
THA	TACRINE	A,B	2AOX	0.82
THA	TACRINE	A	1ACJ	0.82
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.77
DCU		A,B	1J07	0.74
NSC	N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA	A,B	1PWP	0.72
NCQ	3,6-Bis[3-(azepan-1-yl)propionamido]acridine	A,B	3EUM	0.71
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.7
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.74
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.7
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
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.71
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.71
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
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.7
NCK	3,6-Bis[3-(4-methylpiperidino)propionamido]acridine	A,B	3ES0	0.7
3MP	3-METHYLPYRIDINE	A	1EUB	0.8
3MP	3-METHYLPYRIDINE	A	1BM6	0.8
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.76
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.76
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.73
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.73
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.74
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.72
NCJ	3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine	A,B	3ERU	0.7
MOJ	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	A	3FT8	0.73
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.78
DEQ	DEQUALINIUM	A	1OYD	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.78
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.78
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.79
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.71
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.73
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.84
A1E	(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE	A	1ZGB	0.71
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C	1KQG	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C,D,E,F	2VR0	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE	A,B,C,M,N,O,P	1KF6	0.72
3AP	3-AMINOPYRIDINE	A	1AEF	0.71
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.77
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
IND	INDOLE	A	1L4H	0.8
IND	INDOLE	A,B,G	1O7N	0.8
IND	INDOLE	A	185L	0.8
IND	INDOLE	A,B	1EG9	0.8
IND	INDOLE	A,B	1UUV	0.8
IND	INDOLE	A,C,E	2B24	0.8
IND	INDOLE	A,B,C,D,E,F	2P85	0.8
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.71
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.74
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.78
MIL	MILRINONE	A,B	1TLM	0.71
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.78
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.74
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.7
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.7
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.7
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.75
3B3	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	A	2CGV	0.77
PHN	1,10-PHENANTHROLINE	A	1LIH	0.87
PHN	1,10-PHENANTHROLINE	A	2LIG	0.87
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.87
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
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.73
TAQ	2,4,6-TRIAMINOQUINAZOLINE	A,B,C,D,E,F,G,H	1W0C	0.7
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.76
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.76
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.76
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.76
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.76
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.72
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.74
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.73
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.76
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.74
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.75
PRL	PROFLAVIN	H,I	1BCU	0.79
PRL	PROFLAVIN	A,B,D,E	1QVT	0.79
PRL	PROFLAVIN	A,B	2KD4	0.79
PRL	PROFLAVIN	A	1QVU	0.79
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.73
L1B	7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM	A,B	2G21	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.76
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.76
2PT	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE	B	1XRW	0.71
ISQ	ISOQUINOLINE	A	1GDK	0.89
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
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.72
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2G	0.73
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2H	0.73
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2HKC	0.73