Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02699009

Ligand	Ligand name	Chain	PDB	Tanimoto
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.71
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.72
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.93
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.74
MGR	MALACHITE GREEN	A,B	3BQZ	0.83
MGR	MALACHITE GREEN	A	1Q8N	0.83
MGR	MALACHITE GREEN	A,B	3BR0	0.83
MGR	MALACHITE GREEN	A,D,E	3BTL	0.83
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.83
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.83
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.92
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.92
264	(phenylamino)acetonitrile	A	2RBN	0.8
CRI		A,B	1VKG	0.73
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.72
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.7
IDM	INDOLINE	A,B	3CEP	0.83
IDM	INDOLINE	A	1AEK	0.83
34A	3,4-DIMETHYLANILINE	A	1L4K	0.75
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.72
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.7
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.82
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.78
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.7
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.7
PRY	2-PROPYL-ANILINE	A	1OWY	0.77
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.7
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.7
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.73
NYL	N-ALLYL-ANILINE	A	1OVK	0.81
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
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.88
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE	A	5TLN	0.73
760	9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE	A	1DX4	0.71
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.73
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
DPK	DEPRENYL	A,B	2BYB	0.71
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.83
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.71
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
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.78
C4H	N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE	A,B	2DOO	0.71
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.72
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
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.79
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.79
TSN	TRICHOSTATIN A	A,B	1T64	0.71
TSN	TRICHOSTATIN A	A,B	1C3R	0.71
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.71
TSN	TRICHOSTATIN A	A,B,C	3C10	0.71
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.72
BSU	1,3-DIPHENYLUREA	A	3E85	0.73
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.73
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	A	3E9S	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	0.72
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.76
468	(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7P	0.71
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.78
MNS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE	A	1OKL	0.71
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.73
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.74
AGB	N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA	A	1EJN	0.72
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.73
271	N-methyl-1-phenylmethanamine	X	2RBT	0.73
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.71
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.82
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.76
744	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7N	0.71
A8B		A	1ODC	0.79
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.71
1MR	N-METHYLANILINE	X	2OTZ	0.79
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.76
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.76
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.76
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.76
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.76
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.76
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.72
ZAT	4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)	A	2W0J	0.71
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.76
LJH	N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)	A,B	3BGC	0.71
IN7	[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID	A	1B8Y	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.72
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.71
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.71
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.71