Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00050317

Ligand	Ligand name	Chain	PDB	Tanimoto
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.78
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.73
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.7
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.79
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.73
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.76
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.76
DEQ	DEQUALINIUM	A	1OYD	0.76
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.76
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.76
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.76
P83	1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine	A,B	2VUK	0.73
PHN	1,10-PHENANTHROLINE	A	1LIH	0.75
PHN	1,10-PHENANTHROLINE	A	2LIG	0.75
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.75
PIU	1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM	A	1ZE8	0.74
THA	TACRINE	A,B	2AOW	0.71
THA	TACRINE	A,B,C,D,E,F	1MX1	0.71
THA	TACRINE	A,B	2AOX	0.71
THA	TACRINE	A	1ACJ	0.71
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.77
DCU		A,B	1J07	0.77
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.72
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.72
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.7
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.71
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.72
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.71
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.72
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.71
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.73
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.73
MOJ	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	A	3FT8	0.71
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.74
ISQ	ISOQUINOLINE	A	1GDK	0.83
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.76
PRL	PROFLAVIN	H,I	1BCU	0.7
PRL	PROFLAVIN	A,B,D,E	1QVT	0.7
PRL	PROFLAVIN	A,B	2KD4	0.7
PRL	PROFLAVIN	A	1QVU	0.7
6NP	6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE	A	1YQJ	0.7
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.72
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE	A,B	2IGY	0.74
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.77
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
A1T	5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE	A	2IGX	0.7
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.71
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.73
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.83
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	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	0.81
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.81
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.81
793	3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione	A	3FPM	0.72
3MP	3-METHYLPYRIDINE	A	1EUB	0.8
3MP	3-METHYLPYRIDINE	A	1BM6	0.8
R1C	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)	A	2O1I	0.71
R1C	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)	A,B	3GSK	0.71
R1C	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)	A	3GSJ	0.71
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.72
MYT	METYRAPONE	A	1PHG	0.74
MYT	METYRAPONE	A	1W0G	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.75
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.72
KSL	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine	A	2ZYB	0.7
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.85
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.73
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.73
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.73
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.73
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.73
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.76
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.75
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.75
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.72
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.76
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.75
TMI	1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE	A	2BDM	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.72
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.72
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.74
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.81
TPB	4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE	A	1S6Q	0.71
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.73
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.75
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
C4C	N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine	A	2RA7	0.73
MGR	MALACHITE GREEN	A,B	3BQZ	0.72
MGR	MALACHITE GREEN	A	1Q8N	0.72
MGR	MALACHITE GREEN	A,B	3BR0	0.72
MGR	MALACHITE GREEN	A,D,E	3BTL	0.72
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.72
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.78
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.72
D4G		A,B,C,D	2FDY	0.71
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.75
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.74
TOT	1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM	A	108D	0.72
LG1	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	A,B,D	1NZM	0.73
NTN	ISONICOTINAMIDINE	A	7ADH	0.75
SB6	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	A	1BL6	0.71
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.78
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.71
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.71
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.71
IND	INDOLE	A	1L4H	0.71
IND	INDOLE	A,B,G	1O7N	0.71
IND	INDOLE	A	185L	0.71
IND	INDOLE	A,B	1EG9	0.71
IND	INDOLE	A,B	1UUV	0.71
IND	INDOLE	A,C,E	2B24	0.71
IND	INDOLE	A,B,C,D,E,F	2P85	0.71