Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003657

Ligand	Ligand name	Chain	PDB	Tanimoto
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.71
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.8
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.75
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.75
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.75
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.72
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAR	0.7
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAS	0.7
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.71
NYL	N-ALLYL-ANILINE	A	1OVK	0.82
IDM	INDOLINE	A,B	3CEP	0.83
IDM	INDOLINE	A	1AEK	0.83
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.85
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.74
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE	A	2BGE	0.72
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.85
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.85
264	(phenylamino)acetonitrile	A	2RBN	0.82
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.73
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.71
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.76
PRY	2-PROPYL-ANILINE	A	1OWY	0.77
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.73
W22	[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid	A,B	2WKW	0.71
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.7
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.7
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.7
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.72
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.75
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.76
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.76
BSU	1,3-DIPHENYLUREA	A	3E85	0.71
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.71
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.78
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.78
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.74
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.73
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.74
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.72
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID	H	1INE	0.7
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID	H	1IND	0.7
MGR	MALACHITE GREEN	A,B	3BQZ	0.76
MGR	MALACHITE GREEN	A	1Q8N	0.76
MGR	MALACHITE GREEN	A,B	3BR0	0.76
MGR	MALACHITE GREEN	A,D,E	3BTL	0.76
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.76
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.76
A8B		A	1ODC	0.78
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.72
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.77
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.7
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.73
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.73
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.73
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.82
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.74
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.73
271	N-methyl-1-phenylmethanamine	X	2RBT	0.75
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.75
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.78
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.81
1MR	N-METHYLANILINE	X	2OTZ	0.8
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.71
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.71
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.92
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.74
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.74
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.71
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.71
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B	1WRK	0.72
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1CTR	0.72
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B,C,D,E,F	1WRL	0.72
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1A29	0.72
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1LIN	0.72
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.75
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.71
DPK	DEPRENYL	A,B	2BYB	0.7
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	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	0.7
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	0.75
34A	3,4-DIMETHYLANILINE	A	1L4K	0.76
PL0	1-phenylguanidine	A	2O8W	0.7
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.71
LJH	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)	A,B	3BGC	0.71