Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213898

Ligand	Ligand name	Chain	PDB	Tanimoto
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.75
NYL	N-ALLYL-ANILINE	A	1OVK	0.8
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.72
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.77
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.73
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.74
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.7
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE	A	2BGE	0.7
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.7
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAR	0.7
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAS	0.7
F11	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE	A	2CMF	0.71
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.7
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.81
LJH	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)	A,B	3BGC	0.75
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.72
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.75
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.83
IDM	INDOLINE	A,B	3CEP	0.82
IDM	INDOLINE	A	1AEK	0.82
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.74
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.78
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.71
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.77
34A	3,4-DIMETHYLANILINE	A	1L4K	0.72
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.82
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.72
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.74
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.72
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.72
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.73
FRP	N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE	A,B,C	2FDP	0.71
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.74
271	N-methyl-1-phenylmethanamine	X	2RBT	0.71
MGR	MALACHITE GREEN	A,B	3BQZ	0.81
MGR	MALACHITE GREEN	A	1Q8N	0.81
MGR	MALACHITE GREEN	A,B	3BR0	0.81
MGR	MALACHITE GREEN	A,D,E	3BTL	0.81
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.81
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.81
264	(phenylamino)acetonitrile	A	2RBN	0.79
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.77
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.72
A8N	N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE	A	1UT6	0.72
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.75
UN5	{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID	A	2F6Z	0.72
BC1	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID	H,Y	1LO0	0.7
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.71
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.75
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.75
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.74
A8B		A	1ODC	0.83
DEQ	DEQUALINIUM	A,B,D,E	1JT6	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR2	0.7
DEQ	DEQUALINIUM	A	1OYD	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BT9	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BTJ	0.7
DEQ	DEQUALINIUM	A,B,D,E	3BR1	0.7
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.73
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE	A	5TLN	0.71
LJG	N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]	B	3BGB	0.7
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.73
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.72
TMJ	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	A,B	2ONY	0.7
TMJ	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	A,B	2ONZ	0.7
AGB	N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA	A	1EJN	0.72
SII	N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide	A	3FKT	0.73
IN7	[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID	A	1B8Y	0.74
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.7
I40	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1QON	0.71
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.72
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.86
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B	1WRK	0.73
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1CTR	0.73
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B,C,D,E,F	1WRL	0.73
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1A29	0.73
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1LIN	0.73
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.76
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.72
G3G	N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)	A,B	2R43	0.72
G3G	N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)	A,B	2PWC	0.72
G3G	N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)	A,B	2R3W	0.72
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.88
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.88
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.88
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.77
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.77
BSU	1,3-DIPHENYLUREA	A	3E85	0.72
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.72
MC2	N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE	A	1T9Y	0.71
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID	H	1INE	0.71
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID	H	1IND	0.71
AA7	N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE	A	2CKM	0.7
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.76
NPP	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE	L	1BAF	0.73