Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014560

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.9
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.9
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.87
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.87
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.84
ABN	BENZYLAMINE	D,H	2HXC	0.84
ABN	BENZYLAMINE	A,I	1A86	0.84
ABN	BENZYLAMINE	A	1UTN	0.84
ABN	BENZYLAMINE	A	1N6X	0.84
ABN	BENZYLAMINE	A	2BZA	0.84
ABN	BENZYLAMINE	A	2EUS	0.84
ABN	BENZYLAMINE	A	1N6Y	0.84
ABN	BENZYLAMINE	A	1UTJ	0.84
271	N-methyl-1-phenylmethanamine	X	2RBT	0.83
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.81
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.81
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.81
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.81
DPK	DEPRENYL	A,B	2BYB	0.8
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.8
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.8
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.79
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.79
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.79
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.79
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.79
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.79
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.78
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.78
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.78
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.78
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.78
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.78
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.78
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.78
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.78
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.78
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.78
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.77
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.77
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.77
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.77
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.77
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.77
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.77
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
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.75
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.75
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.75
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.75
2HT	3-methylbenzonitrile	A,B	3F88	0.74
FPR	PROPYLBENZENE	C	1RHK	0.74
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.74
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.74
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.74
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
BEN	BENZAMIDINE	A	2TIO	0.74
BEN	BENZAMIDINE	A	1J15	0.74
BEN	BENZAMIDINE	A,B	3BEU	0.74
BEN	BENZAMIDINE	T	1V2U	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.74
BEN	BENZAMIDINE	A	1S0R	0.74
BEN	BENZAMIDINE	A,B	1V16	0.74
BEN	BENZAMIDINE	A	1CC7	0.74
BEN	BENZAMIDINE	A	3BG8	0.74
BEN	BENZAMIDINE	A	1CC8	0.74
BEN	BENZAMIDINE	A	3PTB	0.74
BEN	BENZAMIDINE	A,B	1TRM	0.74
BEN	BENZAMIDINE	A	1ZHR	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.74
BEN	BENZAMIDINE	A	2BLV	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.74
BEN	BENZAMIDINE	H,I	3D49	0.74
BEN	BENZAMIDINE	H,L,T	2AER	0.74
BEN	BENZAMIDINE	A	1J14	0.74
BEN	BENZAMIDINE	A	1NSA	0.74
BEN	BENZAMIDINE	A	2AYW	0.74
BEN	BENZAMIDINE	A	1BRA	0.74
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.74
BEN	BENZAMIDINE	B,C,D	2AST	0.74
BEN	BENZAMIDINE	A,B	2CKR	0.74
BEN	BENZAMIDINE	A	1LPU	0.74
BEN	BENZAMIDINE	A	1ZHM	0.74
BEN	BENZAMIDINE	A	1J8A	0.74
BEN	BENZAMIDINE	A,B	3BCX	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.74
BEN	BENZAMIDINE	A	1AND	0.74
BEN	BENZAMIDINE	A	2TBS	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.74
BEN	BENZAMIDINE	T	1V2M	0.74
BEN	BENZAMIDINE	A	2EEK	0.74
BEN	BENZAMIDINE	H,I	2ZI2	0.74
BEN	BENZAMIDINE	T	1V2J	0.74
BEN	BENZAMIDINE	H	1KLI	0.74
BEN	BENZAMIDINE	A	1CE5	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.74
BEN	BENZAMIDINE	B,Y	2PKA	0.74
BEN	BENZAMIDINE	A	2VJ0	0.74
BEN	BENZAMIDINE	A	3B3J	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.74
BEN	BENZAMIDINE	A	1ANB	0.74
BEN	BENZAMIDINE	A	1LO6	0.74
BEN	BENZAMIDINE	A	1LR4	0.74
BEN	BENZAMIDINE	A,B	1V1M	0.74
BEN	BENZAMIDINE	A	1ZHP	0.74
BEN	BENZAMIDINE	A	2J9N	0.74
BEN	BENZAMIDINE	A	2BMV	0.74
BEN	BENZAMIDINE	A,B	2CKS	0.74
BEN	BENZAMIDINE	A	2BLW	0.74
BEN	BENZAMIDINE	A	1J16	0.74
BEN	BENZAMIDINE	A,B	1V11	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.74
BEN	BENZAMIDINE	B	1RTF	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.74
BEN	BENZAMIDINE	A,B,C,D	2E58	0.74
BEN	BENZAMIDINE	A	2TRM	0.74
BEN	BENZAMIDINE	T	1V2V	0.74
BEN	BENZAMIDINE	A	1MBQ	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.74
BEN	BENZAMIDINE	A	2O8U	0.74
BEN	BENZAMIDINE	H	1DWB	0.74
BEN	BENZAMIDINE	B,C	2ASS	0.74
BEN	BENZAMIDINE	A	1ANE	0.74
BEN	BENZAMIDINE	H,I	2ZIQ	0.74
BEN	BENZAMIDINE	A	1BIT	0.74
BEN	BENZAMIDINE	A	2AIQ	0.74
BEN	BENZAMIDINE	A	2OQ5	0.74
BEN	BENZAMIDINE	A	1ANC	0.74
BEN	BENZAMIDINE	H	1JBU	0.74
BEN	BENZAMIDINE	A,B	2BPQ	0.74
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.74
BEN	BENZAMIDINE	T	1V2S	0.74
BEN	BENZAMIDINE	A	1H4W	0.74
BEN	BENZAMIDINE	A	1OSS	0.74
BEN	BENZAMIDINE	A	1W80	0.74
BEN	BENZAMIDINE	A	1BTY	0.74
BEN	BENZAMIDINE	H,I	2ZFQ	0.74
BEN	BENZAMIDINE	A	1EAX	0.74
BEN	BENZAMIDINE	A	1L2E	0.74
BEN	BENZAMIDINE	A	1WRI	0.74
BEN	BENZAMIDINE	A,B	3BB8	0.74
BEN	BENZAMIDINE	A	2OXS	0.74
BEN	BENZAMIDINE	A	1DPO	0.74
BEN	BENZAMIDINE	T	1V2L	0.74
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.74
N4B	N-BUTYLBENZENE	A	186L	0.74
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.74
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
BAM	BENZAMIDINE	U	1F5K	0.74
BAM	BENZAMIDINE	X	2BY8	0.74
BAM	BENZAMIDINE	B	2PSM	0.74
BAM	BENZAMIDINE	X	2BY9	0.74
BAM	BENZAMIDINE	A	1C1N	0.74
BAM	BENZAMIDINE	X	2BY6	0.74
BAM	BENZAMIDINE	H,I	1C5O	0.74
BAM	BENZAMIDINE	A	1XX4	0.74
BAM	BENZAMIDINE	A	1HJ8	0.74
BAM	BENZAMIDINE	A	1C5P	0.74
BAM	BENZAMIDINE	B	1C5Z	0.74
BAM	BENZAMIDINE	A,B	1ZVW	0.74
BAM	BENZAMIDINE	A	2ANW	0.74
BAM	BENZAMIDINE	A	2ANY	0.74
BAM	BENZAMIDINE	X	2BYA	0.74
BAM	BENZAMIDINE	A	1TIO	0.74
BAM	BENZAMIDINE	X	2BY5	0.74
BAM	BENZAMIDINE	X	2BY7	0.74
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.74
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.73
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.73
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.72
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.72
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.72
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.71
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.71
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
4CM	(4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID	A	1TX7	0.7
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.7