Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00050072

Ligand	Ligand name	Chain	PDB	Tanimoto
1MR	N-METHYLANILINE	X	2OTZ	0.74
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.8
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.8
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.73
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.7
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.7
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.74
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.73
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
MGR	MALACHITE GREEN	A,B	3BQZ	0.9
MGR	MALACHITE GREEN	A	1Q8N	0.9
MGR	MALACHITE GREEN	A,B	3BR0	0.9
MGR	MALACHITE GREEN	A,D,E	3BTL	0.9
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.9
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.9
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.72
CBL	CHLORAMBUCIL	A,B	3CSJ	0.7
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.83
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.7
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.7
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL	H	1YNK	0.75
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.74
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.83
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.83
A8B		A	1ODC	0.75
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.7
264	(phenylamino)acetonitrile	A	2RBN	0.76
IN7	[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID	A	1B8Y	0.71
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.78
DSY	5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID	C,D	1BDA	0.72
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.7
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.82
MNS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE	A	1OKL	0.74
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.71
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.71
NYL	N-ALLYL-ANILINE	A	1OVK	0.76
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.71
FEX		A	1OSH	0.72
IDM	INDOLINE	A,B	3CEP	0.79
IDM	INDOLINE	A	1AEK	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
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.95
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.9
271	N-methyl-1-phenylmethanamine	X	2RBT	0.71
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.72
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.75
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
5CY	N,N'-(dipropyl)-tetramethylindodicarbocyanine	C	3BEP	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.76
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.7
AGB	N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA	A	1EJN	0.7
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.76
DPK	DEPRENYL	A,B	2BYB	0.75
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.93
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.73
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.72
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.71
9AP	9-AMINOPHENANTHRENE	A	1EGY	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
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.71
DZP	7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE	A,B	2BXF	0.72
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.72
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,J	1CVW	0.72
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1A4W	0.72
ANS	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)	H,I	1FPC	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.77
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
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.88
BSU	1,3-DIPHENYLUREA	A	3E85	0.7
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.72
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
34A	3,4-DIMETHYLANILINE	A	1L4K	0.76
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.71
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.72
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.72
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2W98	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2BXC	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXP	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXQ	0.7
TNS		A,B,L	2G2R	0.74