Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218139

Ligand	Ligand name	Chain	PDB	Tanimoto
DEN	INDENE	A	183L	0.85
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.77
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.77
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.77
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.77
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.75
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.75
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.76
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE	A,B	2VZ2	0.74
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.77
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.71
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.85
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.79
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.79
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.89
PXY	PARA-XYLENE	A	187L	1
PXY	PARA-XYLENE	A	225L	1
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.79
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.79
OXE	ORTHO-XYLENE	A,B	3E0X	0.93
OXE	ORTHO-XYLENE	A	188L	0.93
PHG	PHENYLMERCURY	A	1CZS	0.8
FPR	PROPYLBENZENE	C	1RHK	0.96
PMS	BENZYLSULFINIC ACID	B	1PNM	0.76
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.76
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.76
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.76
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.76
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.76
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.76
PMS	BENZYLSULFINIC ACID	A	3H18	0.76
PMS	BENZYLSULFINIC ACID	A	3H17	0.76
PMS	BENZYLSULFINIC ACID	A	2CBG	0.76
PMS	BENZYLSULFINIC ACID	A	1SUP	0.76
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.76
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.76
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.76
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.76
PMS	BENZYLSULFINIC ACID	A	1KLT	0.76
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.76
PMS	BENZYLSULFINIC ACID	A	2GKO	0.76
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.76
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.72
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.72
BNZ	BENZENE	A	1L83	0.8
BNZ	BENZENE	A	1CP4	0.8
BNZ	BENZENE	A,B,C,D	1XXJ	0.8
BNZ	BENZENE	B	1SWI	0.8
BNZ	BENZENE	A	181L	0.8
BNZ	BENZENE	A	223L	0.8
BNZ	BENZENE	A	3DMX	0.8
BNZ	BENZENE	A	2Z9G	0.8
BNZ	BENZENE	A	220L	0.8
BNZ	BENZENE	A	227L	0.8
BNZ	BENZENE	A,B	1A7Z	0.8
BNZ	BENZENE	A	1L84	0.8
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.87
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.73
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
PBC	PHENYL BORONIC ACID	A	2A32	0.75
PBC	PHENYL BORONIC ACID	A	1JU3	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.93
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.78
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.74
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
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.9
MBN	TOLUENE	A,B	3D7O	0.96
MBN	TOLUENE	A,B	1R1X	0.96
MBN	TOLUENE	A,B	1JLX	0.96
MBN	TOLUENE	A,B,C,D	3D17	0.96
MBN	TOLUENE	A,B	2VRL	0.96
MBN	TOLUENE	A,I	2Z3E	0.96
MBN	TOLUENE	A,B	1YZI	0.96
MBN	TOLUENE	A,B	2DN1	0.96
MBN	TOLUENE	A,B	3EN1	0.96
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.77
AC0	1-PHENYLETHANONE	A	1ZK1	0.74
AC0	1-PHENYLETHANONE	A	1ZK4	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.74
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.74
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.74
PEL	2-PHENYL-ETHANOL	A	1EYW	0.74
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.74
N4B	N-BUTYLBENZENE	A	186L	0.96
2HT	3-methylbenzonitrile	A,B	3F88	0.83
ABN	BENZYLAMINE	D,H	2HXC	0.75
ABN	BENZYLAMINE	A,I	1A86	0.75
ABN	BENZYLAMINE	A	1UTN	0.75
ABN	BENZYLAMINE	A	1N6X	0.75
ABN	BENZYLAMINE	A	2BZA	0.75
ABN	BENZYLAMINE	A	2EUS	0.75
ABN	BENZYLAMINE	A	1N6Y	0.75
ABN	BENZYLAMINE	A	1UTJ	0.75
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.8
TOS	P-SULFINOTOLUENE	H	1ETT	0.74
TOS	P-SULFINOTOLUENE	I	4PAD	0.74
TOS	P-SULFINOTOLUENE	A	1EST	0.74
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.74
TOS	P-SULFINOTOLUENE	E	1PPH	0.74
BT6	benzenethiol	A,B,C,D	3HSR	0.7
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one	A,B	3DEA	0.7
DPK	DEPRENYL	A,B	2BYB	0.74
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F,G,H	2O78	0.73
271	N-methyl-1-phenylmethanamine	X	2RBT	0.73
PA0	Phenylarsine oxide	A	3E3Z	0.78
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.72
PYL	PHENYLETHANE	C	1B07	0.96
PYL	PHENYLETHANE	A,B	2VRM	0.96
PYL	PHENYLETHANE	A	1NHB	0.96
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.77
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.79
PEY	PHENANTHRENE	A,B	2HML	0.77
PEY	PHENANTHRENE	A,B	2HMK	0.77
PIH	IODOPHENYL	A	1UO5	0.75
PIH	IODOPHENYL	A	3DNA	0.75
PIH	IODOPHENYL	A	1F9O	0.75
PIH	IODOPHENYL	A,B	1UO4	0.75
PIH	IODOPHENYL	A	3DN4	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.74
NPY	NAPHTHALENE	A,B	1O7G	0.81
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.78
AN3	ANTHRACENE	A,B	2HMN	0.77
AN3	ANTHRACENE	A,B	2HMM	0.77
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.73
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.73
BDB		A,B	1KE3	0.81
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.7
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.77
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.77