Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049201

Ligand	Ligand name	Chain	PDB	Tanimoto
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.7
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.7
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.72
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.71
5NS	5-aminonaphthalene-1-sulfonic acid	A,B	3CFT	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.85
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
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.73
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.72
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.78
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.74
NIT	4-NITROANILINE	C,D	1RMH	0.71
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.71
NIT	4-NITROANILINE	B	1VBS	0.71
NIT	4-NITROANILINE	C	1V9T	0.71
NIT	4-NITROANILINE	C,D	1VBT	0.71
NIT	4-NITROANILINE	B	1LOP	0.71
NIT	4-NITROANILINE	C,D	1ZKF	0.71
NIT	4-NITROANILINE	B	1PIP	0.71
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.72
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.78
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.78
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.74
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
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.7
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.7
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.7
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.7
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.86
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.74
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.7
264	(phenylamino)acetonitrile	A	2RBN	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.86
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.86
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.86
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.86
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.86
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.86
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.73
NYL	N-ALLYL-ANILINE	A	1OVK	0.71
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
34A	3,4-DIMETHYLANILINE	A	1L4K	0.86
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.75
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.75
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.74
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.82
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.7
ABN	BENZYLAMINE	D,H	2HXC	0.73
ABN	BENZYLAMINE	A,I	1A86	0.73
ABN	BENZYLAMINE	A	1UTN	0.73
ABN	BENZYLAMINE	A	1N6X	0.73
ABN	BENZYLAMINE	A	2BZA	0.73
ABN	BENZYLAMINE	A	2EUS	0.73
ABN	BENZYLAMINE	A	1N6Y	0.73
ABN	BENZYLAMINE	A	1UTJ	0.73
ANL	ANILINE	A	2OV4	0.79
ANL	ANILINE	A	1AEE	0.79
ANL	ANILINE	A	1PPA	0.79
ANL	ANILINE	A	1HJ9	0.79
IDM	INDOLINE	A,B	3CEP	0.73
IDM	INDOLINE	A	1AEK	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.84
PRY	2-PROPYL-ANILINE	A	1OWY	0.87
MGR	MALACHITE GREEN	A,B	3BQZ	0.73
MGR	MALACHITE GREEN	A	1Q8N	0.73
MGR	MALACHITE GREEN	A,B	3BR0	0.73
MGR	MALACHITE GREEN	A,D,E	3BTL	0.73
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.73
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.73
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.83
5BM	(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile	A	3EQH	0.7
1AN	2-FLUOROANILINE	A	1LGW	0.76
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.79
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.79
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.7
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.7
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.73
N2M	5-AMINO-NAPHTALENE-2-MONOSULFONATE	C,D	1HKN	0.71
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.82
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.82
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.82
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.82
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.82
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.82
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.82
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.79
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.78
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.71
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.71
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.71
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.73
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.72
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.8
BSU	1,3-DIPHENYLUREA	A	3E85	0.72
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.72
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.7