Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01671492

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.78
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.78
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.75
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.86
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.77
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.91
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
24U	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZI2	0.71
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.85
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.85
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.85
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.73
CPU		A,B	1CR6	0.74
CRP	((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE	A	2STD	0.7
CRP	((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE	A,B,C	7STD	0.7
271	N-methyl-1-phenylmethanamine	X	2RBT	0.9
GB1	(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL	A	2F18	0.7
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.78
IDM	INDOLINE	A,B	3CEP	0.76
IDM	INDOLINE	A	1AEK	0.76
ABN	BENZYLAMINE	D,H	2HXC	0.81
ABN	BENZYLAMINE	A,I	1A86	0.81
ABN	BENZYLAMINE	A	1UTN	0.81
ABN	BENZYLAMINE	A	1N6X	0.81
ABN	BENZYLAMINE	A	2BZA	0.81
ABN	BENZYLAMINE	A	2EUS	0.81
ABN	BENZYLAMINE	A	1N6Y	0.81
ABN	BENZYLAMINE	A	1UTJ	0.81
264	(phenylamino)acetonitrile	A	2RBN	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.74
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.72
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.74
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.74
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.74
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.74
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.74
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.74
GB2	(2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL	A	2F1A	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.75
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
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.71
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.79
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.76
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.77
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.75
GB3	(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL	A	2F1B	0.71
34A	3,4-DIMETHYLANILINE	A	1L4K	0.7
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.73
29U	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZGX	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.88
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.88
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.74
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.72
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.79
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.79
LY1	8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE	A,B	1N7I	0.72
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.74
NYL	N-ALLYL-ANILINE	A	1OVK	0.73
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
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.7
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.8
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.8
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.8
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.78
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.71
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.76
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.76
DPK	DEPRENYL	A,B	2BYB	0.84
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.75
SK3	(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL	A	2F7R	0.74
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.72
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.88
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.88
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.88
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.88
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.88
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.78
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.74
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.71
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
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.82
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.77
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.78
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.76
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
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.8
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.82
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.82
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.79
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	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
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.7
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.7
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.7
1MR	N-METHYLANILINE	X	2OTZ	0.71
SRE	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine	A	3GWU	0.7