Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00345827

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.71
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.75
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.75
CPU		A,B	1CR6	0.73
F1K	(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide	A,B,C	2ZJK	0.75
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	0.71
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.75
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.72
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.72
F1J	(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide	A	2ZJJ	0.75
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.83
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.83
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	0.71
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.72
DPK	DEPRENYL	A,B	2BYB	0.82
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.75
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.8
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.8
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.71
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.78
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.7
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.84
IDM	INDOLINE	A,B	3CEP	0.71
IDM	INDOLINE	A	1AEK	0.71
N4T	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE	A,B	2FL2	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.81
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.81
565	(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE	A,B	2IIV	0.71
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.74
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.75
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.7
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.7
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.78
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.71
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE	A,B	2VZ2	0.7
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.71
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.71
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	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
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.71
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
ABN	BENZYLAMINE	D,H	2HXC	0.79
ABN	BENZYLAMINE	A,I	1A86	0.79
ABN	BENZYLAMINE	A	1UTN	0.79
ABN	BENZYLAMINE	A	1N6X	0.79
ABN	BENZYLAMINE	A	2BZA	0.79
ABN	BENZYLAMINE	A	2EUS	0.79
ABN	BENZYLAMINE	A	1N6Y	0.79
ABN	BENZYLAMINE	A	1UTJ	0.79
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.74
FPB	N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE	A,B	2BUB	0.71
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.78
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.78
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.7
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.7
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.75
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.78
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.78
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.74
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.7
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
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.74
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.74
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.71
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.72
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
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.76
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.78
A21	(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one	A,B,C,D	3BZU	0.72
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	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
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.77
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
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
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.71
271	N-methyl-1-phenylmethanamine	X	2RBT	0.86
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.82
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.83
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.83
34A	3,4-DIMETHYLANILINE	A	1L4K	0.71
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.72
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.76
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.8
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.8
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.8
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.8
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.8