Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010187

Ligand	Ligand name	Chain	PDB	Tanimoto
TNS		A,B,L	2G2R	0.71
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.75
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.75
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A	1AMN	0.72
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A,B	2H9Y	0.72
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
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.72
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.72
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.72
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.72
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.72
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.72
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.72
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.75
264	(phenylamino)acetonitrile	A	2RBN	0.8
NYL	N-ALLYL-ANILINE	A	1OVK	0.82
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.72
IDM	INDOLINE	A,B	3CEP	0.83
IDM	INDOLINE	A	1AEK	0.83
MNS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE	A	1OKL	0.7
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.7
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.76
ANL	ANILINE	A	2OV4	0.7
ANL	ANILINE	A	1AEE	0.7
ANL	ANILINE	A	1PPA	0.7
ANL	ANILINE	A	1HJ9	0.7
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.7
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.7
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.77
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.7
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.73
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.74
A8B		A	1ODC	0.72
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.77
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.74
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.74
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.83
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.74
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.84
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.71
271	N-methyl-1-phenylmethanamine	X	2RBT	0.76
DSY	5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID	C,D	1BDA	0.7
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.72
DPK	DEPRENYL	A,B	2BYB	0.79
CBL	CHLORAMBUCIL	A,B	3CSJ	0.73
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.82
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.82
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.79
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.74
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.85
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.73
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.71
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.74
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.74
1MR	N-METHYLANILINE	X	2OTZ	0.8
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.82
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.72
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.8
34A	3,4-DIMETHYLANILINE	A	1L4K	0.79
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.75
PRY	2-PROPYL-ANILINE	A	1OWY	0.8
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.76
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.76
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.76
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.76
ABN	BENZYLAMINE	D,H	2HXC	0.7
ABN	BENZYLAMINE	A,I	1A86	0.7
ABN	BENZYLAMINE	A	1UTN	0.7
ABN	BENZYLAMINE	A	1N6X	0.7
ABN	BENZYLAMINE	A	2BZA	0.7
ABN	BENZYLAMINE	A	2EUS	0.7
ABN	BENZYLAMINE	A	1N6Y	0.7
ABN	BENZYLAMINE	A	1UTJ	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.77
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.86
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.77
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.77
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.71
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
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,J	1CVW	0.7
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1A4W	0.7
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1FPC	0.7
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.79
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.79
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.79