Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024826

Ligand	Ligand name	Chain	PDB	Tanimoto
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.74
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
34A	3,4-DIMETHYLANILINE	A	1L4K	0.93
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.72
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.93
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.93
I4B	ISOBUTYLBENZENE	A	184L	0.7
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
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.75
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.75
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.75
1AN	2-FLUOROANILINE	A	1LGW	0.78
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.74
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.8
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.9
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.86
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.75
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.75
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.72
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.72
3NT	3-NITROTOLUENE	A,B	2BMR	0.77
3NT	3-NITROTOLUENE	A,B	2HMO	0.77
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.76
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.76
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.77
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.98
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.98
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.98
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.98
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
264	(phenylamino)acetonitrile	A	2RBN	0.71
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.75
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.75
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.73
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.71
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.75
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.73
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
N2M	5-AMINO-NAPHTALENE-2-MONOSULFONATE	C,D	1HKN	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.96
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.75
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.75
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.75
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.75
MGR	MALACHITE GREEN	A,B	3BQZ	0.71
MGR	MALACHITE GREEN	A	1Q8N	0.71
MGR	MALACHITE GREEN	A,B	3BR0	0.71
MGR	MALACHITE GREEN	A,D,E	3BTL	0.71
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.71
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.71
NYL	N-ALLYL-ANILINE	A	1OVK	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.75
ABN	BENZYLAMINE	A,I	1A86	0.75
ABN	BENZYLAMINE	A	1UTN	0.75
ABN	BENZYLAMINE	A	1N6X	0.75
ABN	BENZYLAMINE	A	2BZA	0.75
ABN	BENZYLAMINE	A	2EUS	0.75
ABN	BENZYLAMINE	A	1N6Y	0.75
ABN	BENZYLAMINE	A	1UTJ	0.75
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.74
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.79
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.71
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.72
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.76
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.76
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.73
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.74
5NS	5-aminonaphthalene-1-sulfonic acid	A,B	3CFT	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.76
ANL	ANILINE	A	2OV4	0.81
ANL	ANILINE	A	1AEE	0.81
ANL	ANILINE	A	1PPA	0.81
ANL	ANILINE	A	1HJ9	0.81
271	N-methyl-1-phenylmethanamine	X	2RBT	0.73
NBE	NITROSOBENZENE	A	1LH7	0.73
NBE	NITROSOBENZENE	A	2LH7	0.73
NBE	NITROSOBENZENE	A	2NSS	0.73
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.82
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.77
IDM	INDOLINE	A,B	3CEP	0.78
IDM	INDOLINE	A	1AEK	0.78
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.76
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.85
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.76
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.87
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.73
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.73
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.73
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.73
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.73
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.8
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.8
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.8
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.8
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.83
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.83
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.74
BRN	BERENIL	A,B	268D	0.73
BRN	BERENIL	A,B	1D63	0.73
BRN	BERENIL	A,D,E	2GBY	0.73
BRN	BERENIL	A	2DBE	0.73
BRN	BERENIL	A	2GVR	0.73
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.74