Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02219442

Ligand	Ligand name	Chain	PDB	Tanimoto
3MP	3-METHYLPYRIDINE	A	1EUB	0.73
3MP	3-METHYLPYRIDINE	A	1BM6	0.73
PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	A,B	2VYA	0.83
CNQ	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE	A,B,C,D	1WOK	0.7
THA	TACRINE	A,B	2AOW	0.81
THA	TACRINE	A,B,C,D,E,F	1MX1	0.81
THA	TACRINE	A,B	2AOX	0.81
THA	TACRINE	A	1ACJ	0.81
R1C	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)	A	2O1I	0.78
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	0.78
R1C	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)	A	3GSJ	0.78
6NP	6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE	A	1YQJ	0.73
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.81
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.81
DEQ	DEQUALINIUM	A	1OYD	0.81
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.81
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.81
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.81
LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine	A,B	2V5A	0.7
IQP	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE	E	1YDR	0.74
PYN	3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE	A,B	1L1H	0.71
NCI	3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine	A,B,C,D	3EUI	0.73
NCI	3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine	A,B	3EQW	0.73
NSC	N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA	A,B	1PWP	0.75
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1BEU	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1QOP	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	2TRS	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A	1WXJ	0.7
IPL	INDOLE-3-PROPANOL PHOSPHATE	A,B	1KFC	0.7
NCL	3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine	A,B	3ET8	0.73
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.7
QYT	(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE	A	2A5U	0.71
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.8
A2T	N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE	A,B	2IGY	0.7
2MI	2-METHYL-1H-INDOLE	A	2PIO	0.72
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	1D30	0.73
DAP	6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE	A	432D	0.73
NTN	ISONICOTINAMIDINE	A	7ADH	0.71
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
GEQ	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE	A,B,C,D,E,F	1P44	0.7
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.82
RW1	4-phenylpyrimidine	A,B,C	3B9S	0.73
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.72
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
2AQ	QUINOLIN-2-AMINE	A	2OHL	0.74
IDN	(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE	A,B	1MFP	0.7
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.8
N8T	N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE	A	2CEK	0.74
2PT	1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-DIMETHYLTHIOUREA-PLATINUM(II)-ETHANE-1,2-DIAMINE	B	1XRW	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
LG1	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM	A,B,D	1NZM	0.83
LA1	(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE	A,B	1XUO	0.73
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGY	0.81
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AH0	0.81
TSH	2-(1H-INDOL-3-YL)ETHANIMINE	D,H	2AGX	0.81
OA4	5-methyl-6-phenylquinazoline-2,4-diamine	A	2W6P	0.72
IQS	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	E	1YDS	0.72
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2ESM	0.71
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A,B	2F2U	0.71
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	2GNI	0.71
M77	5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE	A	1Q8W	0.71
RKA	N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE	A	2GYX	0.7
AYM	3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE	A,B	1LXC	0.7
BRA	9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine	A	3CE5	0.7
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
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.88
UNN	(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE	A,B,C	5STD	0.73
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.72
SN6	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM	A,B	144D	0.74
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	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.76
TPL	TRYPTOPHANOL	A	1EE7	0.72
9CA	9H-CARBAZOLE	A,B,C,D,E,F	2DE7	0.75
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AH0	0.71
TSC	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL	D,H	2AGZ	0.71
PY1	4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE	A	1PY5	0.78
LL1	3-pyridin-4-yl-1H-indazole	A	3DNE	0.74
PMD	[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE	A	1KLK	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
NCQ	3,6-Bis[3-(azepan-1-yl)propionamido]acridine	A,B	3EUM	0.71
L12	3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE	A	1W84	0.83
CLQ	N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE	A	1CET	0.76
UI2	8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE	A	1SQO	0.75
EPJ	EPIBATIDINE	A,B,C,D,E	2BYQ	0.71
NCE	3,6-Bis[(3-morpholinopropionamido)] acridine	A,B	3EM2	0.7
255	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	A,B	2R9S	0.73
DPT	4,7-DIMETHYL-[1,10]PHENANTHROLINE	A,B	1I53	0.89
IQU	N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE	A,B,C,D	2CKE	0.74
IND	INDOLE	A	1L4H	0.78
IND	INDOLE	A,B,G	1O7N	0.78
IND	INDOLE	A	185L	0.78
IND	INDOLE	A,B	1EG9	0.78
IND	INDOLE	A,B	1UUV	0.78
IND	INDOLE	A,C,E	2B24	0.78
IND	INDOLE	A,B,C,D,E,F	2P85	0.78
DCU		A,B	1J07	0.81
LIH	6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE	A	1KMS	0.75
MM0	N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine	B	2JWQ	0.8
5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine	A	3CFL	0.71
460	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE	A	1VJY	0.73
GG5	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	A	3HVC	0.72
MOJ	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	A	3FT8	0.75
FPH	3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL	A	1OZ1	0.77
SN7	4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE	A	328D	0.73
HUX	3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE	A	1E66	0.73
QMS	N-(QUINOLIN-8-YL)METHANESULFONAMIDE	A	2BB7	0.79
REQ	(4,7-DIMETHYL-1,10-PHENANTHROLINE-KAPPA~2~N~1~,N~10~)[TRIS(HYDROXYMETHYL)]RHENIUM(+)	A	2I7O	0.71
PRL	PROFLAVIN	H,I	1BCU	0.8
PRL	PROFLAVIN	A,B,D,E	1QVT	0.8
PRL	PROFLAVIN	A,B	2KD4	0.8
PRL	PROFLAVIN	A	1QVU	0.8
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
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	A	1ZS5	0.78
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	D,H	2OJY	0.73
TSR	2-(1H-INDOL-3-YL)ACETAMIDE	A,D,H	2OIZ	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.73
6IP	6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE	A	2OHP	0.77
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2G	0.7
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2Z2H	0.7
GIQ	3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE	A	2HKC	0.7
9AC	9-ACRIDINECARBONYL	A,B,G,J,K,L,M	1G3X	0.74
L1B	7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM	A,B	2G21	0.74
TZ5	3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM	A,B	1Q83	0.77
MQU	7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE	A,B	1M7A	0.7
P4O	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	A	2JBO	0.71
P4O	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	A,B,C,D,E,F,G,H,I,K,L	2JBP	0.71
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.78
8IP	N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE	A	2OHR	0.74
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.73
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.73
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE	A	2G8T	0.73
NCJ	3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine	A,B	3ERU	0.73
P83	1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine	A,B	2VUK	0.76
C8C	2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one	A	2VA5	0.71
IMQ	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	A,B	3EPX	0.73
GW3	7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE	A,B	1AOE	0.75
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.78
IP6	N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE	A	2OHT	0.76
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.79
PHN	1,10-PHENANTHROLINE	A	1LIH	0.88
PHN	1,10-PHENANTHROLINE	A	2LIG	0.88
PHN	1,10-PHENANTHROLINE	A,B	2FU7	0.88
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	0.78
NCK	3,6-Bis[3-(4-methylpiperidino)propionamido]acridine	A,B	3ES0	0.73
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE	A	2G5V	0.74
047	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE	A,B	2PJL	0.8
NC5	3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide	A,B,C,D	3EUI	0.73
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.84
AUP	2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE	A	2AAQ	0.82
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.71
PRM	3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM	A,B	1N5R	0.82
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	0.77
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.8
855	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	A	3HMM	0.74
LI2	3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE	A	1WBS	0.7
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B,D,H	2IUQ	0.81
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A,B	2FPB	0.81
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	D,H	2AGW	0.81
TSS	2-(1H-INDOL-3-YL)ETHANAMINE	A	2PQL	0.81
LTN	L-TRYPTOPHANAMIDE	A	1MAU	0.73
LTN	L-TRYPTOPHANAMIDE	A,B	2QUI	0.73
BMO	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A	2GJB	0.82
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
3B3	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	A	2CGV	0.7
23M	2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE	A	2G5N	0.72
IMB	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID	A,B	1T1R	0.71
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.78
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.72