Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023395

Ligand	Ligand name	Chain	PDB	Tanimoto
3NT	3-NITROTOLUENE	A,B	2BMR	0.74
3NT	3-NITROTOLUENE	A,B	2HMO	0.74
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B	1WRK	0.71
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1CTR	0.71
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A,B,C,D,E,F	1WRL	0.71
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1A29	0.71
TFP	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	A	1LIN	0.71
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.72
RJ1	N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide	A,B,C,D	3DGA	0.72
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.79
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.77
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.7
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.7
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.7
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.7
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.7
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.7
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.7
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.77
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.8
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.78
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.73
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.74
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.74
MGR	MALACHITE GREEN	A,B	3BQZ	0.79
MGR	MALACHITE GREEN	A	1Q8N	0.79
MGR	MALACHITE GREEN	A,B	3BR0	0.79
MGR	MALACHITE GREEN	A,D,E	3BTL	0.79
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.79
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.79
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.77
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.79
34A	3,4-DIMETHYLANILINE	A	1L4K	0.78
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.79
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.74
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.74
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,J	1CVW	0.71
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1A4W	0.71
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1FPC	0.71
DPK	DEPRENYL	A,B	2BYB	0.73
264	(phenylamino)acetonitrile	A	2RBN	0.75
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.8
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.8
271	N-methyl-1-phenylmethanamine	X	2RBT	0.74
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.76
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.76
MNS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE	A	1OKL	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.79
1AN	2-FLUOROANILINE	A	1LGW	0.71
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.72
IDM	INDOLINE	A,B	3CEP	0.78
IDM	INDOLINE	A	1AEK	0.78
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.81
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.81
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.81
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.81
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.72
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.73
1MR	N-METHYLANILINE	X	2OTZ	0.79
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.74
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.7
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.71
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.72
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.72
NYL	N-ALLYL-ANILINE	A	1OVK	0.77
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.72
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.72
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.81
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.72
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.72
DSY	5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID	C,D	1BDA	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.76
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.76
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A	1AMN	0.8
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A,B	2H9Y	0.8