Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024682

Ligand	Ligand name	Chain	PDB	Tanimoto
3BT	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1Y	0.71
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.71
NPY	NAPHTHALENE	A,B	1O7G	0.74
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.92
BDB		A,B	1KE3	0.74
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one	A,B	3DEA	0.76
2HT	3-methylbenzonitrile	A,B	3F88	0.75
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.81
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.89
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.84
OXE	ORTHO-XYLENE	A,B	3E0X	0.84
OXE	ORTHO-XYLENE	A	188L	0.84
PMS	BENZYLSULFINIC ACID	B	1PNM	0.82
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.82
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.82
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.82
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.82
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.82
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.82
PMS	BENZYLSULFINIC ACID	A	3H18	0.82
PMS	BENZYLSULFINIC ACID	A	3H17	0.82
PMS	BENZYLSULFINIC ACID	A	2CBG	0.82
PMS	BENZYLSULFINIC ACID	A	1SUP	0.82
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.82
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.82
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.82
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.82
PMS	BENZYLSULFINIC ACID	A	1KLT	0.82
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.82
PMS	BENZYLSULFINIC ACID	A	2GKO	0.82
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.82
PYL	PHENYLETHANE	C	1B07	0.87
PYL	PHENYLETHANE	A,B	2VRM	0.87
PYL	PHENYLETHANE	A	1NHB	0.87
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.71
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.71
B69		A	2ZCR	0.71
AN3	ANTHRACENE	A,B	2HMN	0.71
AN3	ANTHRACENE	A,B	2HMM	0.71
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE	M	1W9D	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.84
DEN	INDENE	A	183L	0.78
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.79
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.71
N4B	N-BUTYLBENZENE	A	186L	0.87
PEY	PHENANTHRENE	A,B	2HML	0.71
PEY	PHENANTHRENE	A,B	2HMK	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.7
MBN	TOLUENE	A,B	3D7O	0.87
MBN	TOLUENE	A,B	1R1X	0.87
MBN	TOLUENE	A,B	1JLX	0.87
MBN	TOLUENE	A,B,C,D	3D17	0.87
MBN	TOLUENE	A,B	2VRL	0.87
MBN	TOLUENE	A,I	2Z3E	0.87
MBN	TOLUENE	A,B	1YZI	0.87
MBN	TOLUENE	A,B	2DN1	0.87
MBN	TOLUENE	A,B	3EN1	0.87
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.71
BNZ	BENZENE	A	1L83	0.72
BNZ	BENZENE	A	1CP4	0.72
BNZ	BENZENE	A,B,C,D	1XXJ	0.72
BNZ	BENZENE	B	1SWI	0.72
BNZ	BENZENE	A	181L	0.72
BNZ	BENZENE	A	223L	0.72
BNZ	BENZENE	A	3DMX	0.72
BNZ	BENZENE	A	2Z9G	0.72
BNZ	BENZENE	A	220L	0.72
BNZ	BENZENE	A	227L	0.72
BNZ	BENZENE	A,B	1A7Z	0.72
BNZ	BENZENE	A	1L84	0.72
TOS	P-SULFINOTOLUENE	H	1ETT	0.75
TOS	P-SULFINOTOLUENE	I	4PAD	0.75
TOS	P-SULFINOTOLUENE	A	1EST	0.75
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.75
TOS	P-SULFINOTOLUENE	E	1PPH	0.75
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.72
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.71
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.71
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.72
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.72
PA0	Phenylarsine oxide	A	3E3Z	0.7
FPR	PROPYLBENZENE	C	1RHK	0.87
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.73
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.71
PHG	PHENYLMERCURY	A	1CZS	0.72
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.74
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.74
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.71
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.71
PXY	PARA-XYLENE	A	187L	0.9
PXY	PARA-XYLENE	A	225L	0.9
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.81
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.71
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.71
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.71
BT6	benzenethiol	A,B,C,D	3HSR	0.75