Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051723

Ligand	Ligand name	Chain	PDB	Tanimoto
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.85
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.72
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.88
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.84
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.84
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.84
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.84
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.84
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.84
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.84
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.84
I4B	ISOBUTYLBENZENE	A	184L	0.72
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.74
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.74
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.83
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.83
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.74
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.74
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.75
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.7
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.72
BEN	BENZAMIDINE	A	2TIO	0.75
BEN	BENZAMIDINE	A	1J15	0.75
BEN	BENZAMIDINE	A,B	3BEU	0.75
BEN	BENZAMIDINE	T	1V2U	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.75
BEN	BENZAMIDINE	A	1S0R	0.75
BEN	BENZAMIDINE	A,B	1V16	0.75
BEN	BENZAMIDINE	A	1CC7	0.75
BEN	BENZAMIDINE	A	3BG8	0.75
BEN	BENZAMIDINE	A	1CC8	0.75
BEN	BENZAMIDINE	A	3PTB	0.75
BEN	BENZAMIDINE	A,B	1TRM	0.75
BEN	BENZAMIDINE	A	1ZHR	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.75
BEN	BENZAMIDINE	A	2BLV	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.75
BEN	BENZAMIDINE	H,I	3D49	0.75
BEN	BENZAMIDINE	H,L,T	2AER	0.75
BEN	BENZAMIDINE	A	1J14	0.75
BEN	BENZAMIDINE	A	1NSA	0.75
BEN	BENZAMIDINE	A	2AYW	0.75
BEN	BENZAMIDINE	A	1BRA	0.75
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.75
BEN	BENZAMIDINE	B,C,D	2AST	0.75
BEN	BENZAMIDINE	A,B	2CKR	0.75
BEN	BENZAMIDINE	A	1LPU	0.75
BEN	BENZAMIDINE	A	1ZHM	0.75
BEN	BENZAMIDINE	A	1J8A	0.75
BEN	BENZAMIDINE	A,B	3BCX	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.75
BEN	BENZAMIDINE	A	1AND	0.75
BEN	BENZAMIDINE	A	2TBS	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.75
BEN	BENZAMIDINE	T	1V2M	0.75
BEN	BENZAMIDINE	A	2EEK	0.75
BEN	BENZAMIDINE	H,I	2ZI2	0.75
BEN	BENZAMIDINE	T	1V2J	0.75
BEN	BENZAMIDINE	H	1KLI	0.75
BEN	BENZAMIDINE	A	1CE5	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.75
BEN	BENZAMIDINE	B,Y	2PKA	0.75
BEN	BENZAMIDINE	A	2VJ0	0.75
BEN	BENZAMIDINE	A	3B3J	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.75
BEN	BENZAMIDINE	A	1ANB	0.75
BEN	BENZAMIDINE	A	1LO6	0.75
BEN	BENZAMIDINE	A	1LR4	0.75
BEN	BENZAMIDINE	A,B	1V1M	0.75
BEN	BENZAMIDINE	A	1ZHP	0.75
BEN	BENZAMIDINE	A	2J9N	0.75
BEN	BENZAMIDINE	A	2BMV	0.75
BEN	BENZAMIDINE	A,B	2CKS	0.75
BEN	BENZAMIDINE	A	2BLW	0.75
BEN	BENZAMIDINE	A	1J16	0.75
BEN	BENZAMIDINE	A,B	1V11	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.75
BEN	BENZAMIDINE	B	1RTF	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.75
BEN	BENZAMIDINE	A,B,C,D	2E58	0.75
BEN	BENZAMIDINE	A	2TRM	0.75
BEN	BENZAMIDINE	T	1V2V	0.75
BEN	BENZAMIDINE	A	1MBQ	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.75
BEN	BENZAMIDINE	A	2O8U	0.75
BEN	BENZAMIDINE	H	1DWB	0.75
BEN	BENZAMIDINE	B,C	2ASS	0.75
BEN	BENZAMIDINE	A	1ANE	0.75
BEN	BENZAMIDINE	H,I	2ZIQ	0.75
BEN	BENZAMIDINE	A	1BIT	0.75
BEN	BENZAMIDINE	A	2AIQ	0.75
BEN	BENZAMIDINE	A	2OQ5	0.75
BEN	BENZAMIDINE	A	1ANC	0.75
BEN	BENZAMIDINE	H	1JBU	0.75
BEN	BENZAMIDINE	A,B	2BPQ	0.75
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.75
BEN	BENZAMIDINE	T	1V2S	0.75
BEN	BENZAMIDINE	A	1H4W	0.75
BEN	BENZAMIDINE	A	1OSS	0.75
BEN	BENZAMIDINE	A	1W80	0.75
BEN	BENZAMIDINE	A	1BTY	0.75
BEN	BENZAMIDINE	H,I	2ZFQ	0.75
BEN	BENZAMIDINE	A	1EAX	0.75
BEN	BENZAMIDINE	A	1L2E	0.75
BEN	BENZAMIDINE	A	1WRI	0.75
BEN	BENZAMIDINE	A,B	3BB8	0.75
BEN	BENZAMIDINE	A	2OXS	0.75
BEN	BENZAMIDINE	A	1DPO	0.75
BEN	BENZAMIDINE	T	1V2L	0.75
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.8
2HT	3-methylbenzonitrile	A,B	3F88	0.72
34A	3,4-DIMETHYLANILINE	A	1L4K	0.72
DPK	DEPRENYL	A,B	2BYB	0.76
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.79
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.78
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.92
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.92
FPR	PROPYLBENZENE	C	1RHK	0.72
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.83
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.83
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.83
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.83
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.73
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.93
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.93
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.77
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.77
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.74
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.74
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.74
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.73
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.74
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.78
ABN	BENZYLAMINE	D,H	2HXC	0.89
ABN	BENZYLAMINE	A,I	1A86	0.89
ABN	BENZYLAMINE	A	1UTN	0.89
ABN	BENZYLAMINE	A	1N6X	0.89
ABN	BENZYLAMINE	A	2BZA	0.89
ABN	BENZYLAMINE	A	2EUS	0.89
ABN	BENZYLAMINE	A	1N6Y	0.89
ABN	BENZYLAMINE	A	1UTJ	0.89
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.75
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.81
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.81
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.81
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.81
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.81
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.78
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.76
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.8
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.83
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.83
BAM	BENZAMIDINE	U	1F5K	0.75
BAM	BENZAMIDINE	X	2BY8	0.75
BAM	BENZAMIDINE	B	2PSM	0.75
BAM	BENZAMIDINE	X	2BY9	0.75
BAM	BENZAMIDINE	A	1C1N	0.75
BAM	BENZAMIDINE	X	2BY6	0.75
BAM	BENZAMIDINE	H,I	1C5O	0.75
BAM	BENZAMIDINE	A	1XX4	0.75
BAM	BENZAMIDINE	A	1HJ8	0.75
BAM	BENZAMIDINE	A	1C5P	0.75
BAM	BENZAMIDINE	B	1C5Z	0.75
BAM	BENZAMIDINE	A,B	1ZVW	0.75
BAM	BENZAMIDINE	A	2ANW	0.75
BAM	BENZAMIDINE	A	2ANY	0.75
BAM	BENZAMIDINE	X	2BYA	0.75
BAM	BENZAMIDINE	A	1TIO	0.75
BAM	BENZAMIDINE	X	2BY5	0.75
BAM	BENZAMIDINE	X	2BY7	0.75
N4B	N-BUTYLBENZENE	A	186L	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.82
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.82
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.88
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.81
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.72
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.72
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.78
271	N-methyl-1-phenylmethanamine	X	2RBT	0.86
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.78
PYL	PHENYLETHANE	C	1B07	0.72
PYL	PHENYLETHANE	A,B	2VRM	0.72
PYL	PHENYLETHANE	A	1NHB	0.72
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE	A,B	2VZ2	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.71