Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02877753

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.84
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.84
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.84
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.83
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.83
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.77
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.75
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.78
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.7
FPB	N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE	A,B	2BUB	0.7
998	N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE	A	1TFQ	0.72
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.77
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.75
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.81
SMK	(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide	A,B	3EYL	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.84
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.84
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.73
DPK	DEPRENYL	A,B	2BYB	0.83
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.71
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.82
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.82
LY1	8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE	A,B	1N7I	0.71
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.76
G0G	N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)	A,B	2PQZ	0.71
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.7
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.73
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.7
SKF	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE	A,B	1HNN	0.7
NYL	N-ALLYL-ANILINE	A	1OVK	0.71
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.74
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.74
S27	N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID	A,B	1B3D	0.73
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
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.85
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
GK5	N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide	A	3D7Z	0.73
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.72
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.75
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.7
MGR	MALACHITE GREEN	A,B	3BQZ	0.71
MGR	MALACHITE GREEN	A	1Q8N	0.71
MGR	MALACHITE GREEN	A,B	3BR0	0.71
MGR	MALACHITE GREEN	A,D,E	3BTL	0.71
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.71
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.71
A8B		A	1ODC	0.7
271	N-methyl-1-phenylmethanamine	X	2RBT	0.87
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.81
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.82
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.76
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.76
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.74
4PI	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE	A,B	2NSD	0.7
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.74
CPU		A,B	1CR6	0.8
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
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
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.73
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.74
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.71
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.76
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.8
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.8
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.79
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.79
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
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.77
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.77
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.74
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.77
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.77
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.71
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.73
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.82
BI6	(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE	A	2JK7	0.72
IDM	INDOLINE	A,B	3CEP	0.74
IDM	INDOLINE	A	1AEK	0.74
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.83
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.83
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
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.83
SKA	7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE	A,B	1YZ3	0.71
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.75
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.78
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.78
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
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.81
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.77
44U	beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide	B,D	3DA9	0.72
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.75
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.79
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.78
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.83
SRE	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine	A	3GWU	0.78