Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00438966

Ligand	Ligand name	Chain	PDB	Tanimoto
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.93
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.8
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.77
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.77
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.71
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.72
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.79
998	N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE	A	1TFQ	0.7
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.74
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.79
DHQ	3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE	A	1PAX	0.78
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.75
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.75
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.71
A8B		A	1ODC	0.72
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.72
34A	3,4-DIMETHYLANILINE	A	1L4K	0.72
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.7
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.76
ABN	BENZYLAMINE	D,H	2HXC	0.76
ABN	BENZYLAMINE	A,I	1A86	0.76
ABN	BENZYLAMINE	A	1UTN	0.76
ABN	BENZYLAMINE	A	1N6X	0.76
ABN	BENZYLAMINE	A	2BZA	0.76
ABN	BENZYLAMINE	A	2EUS	0.76
ABN	BENZYLAMINE	A	1N6Y	0.76
ABN	BENZYLAMINE	A	1UTJ	0.76
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.75
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.71
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.85
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.72
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.7
DPK	DEPRENYL	A,B	2BYB	0.79
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.76
CPU		A,B	1CR6	0.72
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.74
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.74
PRY	2-PROPYL-ANILINE	A	1OWY	0.71
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.8
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.8
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.75
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.75
008	(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE	A,B,C,D	2BUC	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.83
SKF	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE	A,B	1HNN	0.8
F21	(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE	A,B	2G72	0.74
F21	(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE	A,B	2OPB	0.74
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.71
34T	(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline	H	1ETR	0.73
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.88
SRE	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine	A	3GWU	0.73
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.85
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.85
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.74
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.75
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.75
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.76
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.76
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.71
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.75
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.75
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
SKA	7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE	A,B	1YZ3	0.81
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.76
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.76
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.76
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.76
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.8
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.8
LY1	8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE	A,B	1N7I	0.73
FTS	(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	A,B	2G71	0.78
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
IDM	INDOLINE	A,B	3CEP	0.72
IDM	INDOLINE	A	1AEK	0.72