Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052084

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.83
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.77
998	N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE	A	1TFQ	0.72
271	N-methyl-1-phenylmethanamine	X	2RBT	0.82
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.75
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.73
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.72
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.72
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.81
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.7
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.72
DP4	TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE	A,B,C,D,E,F,G,H	1ND0	0.71
S27	N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID	A,B	1B3D	0.72
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.74
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.74
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.82
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.82
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.79
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.73
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.72
44U	beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide	B,D	3DA9	0.71
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.74
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.75
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.73
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.78
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.78
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.78
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.78
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.78
GB3	(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL	A	2F1B	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.77
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.73
FTS	(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE	A,B	2G71	0.71
SKF	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE	A,B	1HNN	0.72
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.76
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.77
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.76
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.76
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.76
DI5	AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH	H	1LHG	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.79
N4T	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE	A,B	2FL2	0.73
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
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.73
LPF	1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	7GCH	0.7
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.73
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.81
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.79
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.79
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.74
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	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
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.81
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.81
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.77
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.77
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.77
PBN	4-PHENYLBUTYLAMINE	A	1UTP	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
CPU		A,B	1CR6	0.76
IDM	INDOLINE	A,B	3CEP	0.7
IDM	INDOLINE	A	1AEK	0.7
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.82
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.78
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.72
SKA	7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE	A,B	1YZ3	0.71
DI4	AC-(D)PHE-PRO-BOROHOMOLYS-OH	H	1LHF	0.71
DPK	DEPRENYL	A,B	2BYB	0.86
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.78
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.78
F1K	(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide	A,B,C	2ZJK	0.76
ABN	BENZYLAMINE	D,H	2HXC	0.78
ABN	BENZYLAMINE	A,I	1A86	0.78
ABN	BENZYLAMINE	A	1UTN	0.78
ABN	BENZYLAMINE	A	1N6X	0.78
ABN	BENZYLAMINE	A	2BZA	0.78
ABN	BENZYLAMINE	A	2EUS	0.78
ABN	BENZYLAMINE	A	1N6Y	0.78
ABN	BENZYLAMINE	A	1UTJ	0.78
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.72
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.81
F1J	(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide	A	2ZJJ	0.76
TTX	TENTOXIN	B	1KMH	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.73
NFA	PHENYLALANINE AMIDE	A	2A4O	0.73
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.73
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	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
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.76
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.83
DI2	AC-(D)PHE-PRO-BOROLYS-OH	H	1LHD	0.71