Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049825

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.72
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.74
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.74
NBE	NITROSOBENZENE	A	1LH7	0.71
NBE	NITROSOBENZENE	A	2LH7	0.71
NBE	NITROSOBENZENE	A	2NSS	0.71
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.72
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.77
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.77
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.77
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.77
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.77
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.77
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.77
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.72
1AN	2-FLUOROANILINE	A	1LGW	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.8
BRN	BERENIL	A,B	268D	0.81
BRN	BERENIL	A,B	1D63	0.81
BRN	BERENIL	A,D,E	2GBY	0.81
BRN	BERENIL	A	2DBE	0.81
BRN	BERENIL	A	2GVR	0.81
3NT	3-NITROTOLUENE	A,B	2BMR	0.75
3NT	3-NITROTOLUENE	A,B	2HMO	0.75
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.72
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.72
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.72
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.74
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.71
ABN	BENZYLAMINE	A,I	1A86	0.71
ABN	BENZYLAMINE	A	1UTN	0.71
ABN	BENZYLAMINE	A	1N6X	0.71
ABN	BENZYLAMINE	A	2BZA	0.71
ABN	BENZYLAMINE	A	2EUS	0.71
ABN	BENZYLAMINE	A	1N6Y	0.71
ABN	BENZYLAMINE	A	1UTJ	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.74
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.74
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.72
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.75
ANL	ANILINE	A	2OV4	0.73
ANL	ANILINE	A	1AEE	0.73
ANL	ANILINE	A	1PPA	0.73
ANL	ANILINE	A	1HJ9	0.73
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.78
34A	3,4-DIMETHYLANILINE	A	1L4K	0.82
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.82
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.82
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.7
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.82
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.82
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.71
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.71
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.76
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.76
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.78
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.82
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.73
DPK	DEPRENYL	A,B	2BYB	0.7
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.72
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.73
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.79
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.81
PRY	2-PROPYL-ANILINE	A	1OWY	0.83
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.77
MGR	MALACHITE GREEN	A,B	3BQZ	0.78
MGR	MALACHITE GREEN	A	1Q8N	0.78
MGR	MALACHITE GREEN	A,B	3BR0	0.78
MGR	MALACHITE GREEN	A,D,E	3BTL	0.78
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.78
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.78
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.79