Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009152

Ligand	Ligand name	Chain	PDB	Tanimoto
MBN	TOLUENE	A,B	3D7O	0.86
MBN	TOLUENE	A,B	1R1X	0.86
MBN	TOLUENE	A,B	1JLX	0.86
MBN	TOLUENE	A,B,C,D	3D17	0.86
MBN	TOLUENE	A,B	2VRL	0.86
MBN	TOLUENE	A,I	2Z3E	0.86
MBN	TOLUENE	A,B	1YZI	0.86
MBN	TOLUENE	A,B	2DN1	0.86
MBN	TOLUENE	A,B	3EN1	0.86
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.7
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.7
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.7
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.84
DEN	INDENE	A	183L	0.75
MAJ	indane-5-sulfonamide	A	2QOA	0.73
PBC	PHENYL BORONIC ACID	A	2A32	0.7
PBC	PHENYL BORONIC ACID	A	1JU3	0.7
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.7
FPR	PROPYLBENZENE	C	1RHK	0.84
2HT	3-methylbenzonitrile	A,B	3F88	0.75
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.92
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.71
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.71
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.71
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.71
BT6	benzenethiol	A,B,C,D	3HSR	0.83
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.77
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.77
PXY	PARA-XYLENE	A	187L	0.84
PXY	PARA-XYLENE	A	225L	0.84
PMS	BENZYLSULFINIC ACID	B	1PNM	0.77
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.77
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.77
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.77
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.77
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.77
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.77
PMS	BENZYLSULFINIC ACID	A	3H18	0.77
PMS	BENZYLSULFINIC ACID	A	3H17	0.77
PMS	BENZYLSULFINIC ACID	A	2CBG	0.77
PMS	BENZYLSULFINIC ACID	A	1SUP	0.77
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.77
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.77
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.77
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.77
PMS	BENZYLSULFINIC ACID	A	1KLT	0.77
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.77
PMS	BENZYLSULFINIC ACID	A	2GKO	0.77
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.77
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.83
BPS		A,B	2DE4	0.74
SML	PHENYL METHYL SULFONE	A,I	1D6W	0.71
SML	PHENYL METHYL SULFONE	A,I	1D9I	0.71
BNS	HYDROSULFONYLBENZENE	1	1YYY	0.77
BNS	HYDROSULFONYLBENZENE	A	1MEM	0.77
BNS	HYDROSULFONYLBENZENE	A,D,E	1FH0	0.77
BNS	HYDROSULFONYLBENZENE	A,B,C,D	1PQ9	0.77
N4B	N-BUTYLBENZENE	A	186L	0.84
PHG	PHENYLMERCURY	A	1CZS	0.74
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.74
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.83
PIH	IODOPHENYL	A	1UO5	0.7
PIH	IODOPHENYL	A	3DNA	0.7
PIH	IODOPHENYL	A	1F9O	0.7
PIH	IODOPHENYL	A,B	1UO4	0.7
PIH	IODOPHENYL	A	3DN4	0.7
PYL	PHENYLETHANE	C	1B07	0.84
PYL	PHENYLETHANE	A,B	2VRM	0.84
PYL	PHENYLETHANE	A	1NHB	0.84
PMB	PARA-MERCURY-BENZENESULFONIC ACID	B	1BH9	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	H	1HDK	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A	1HJ1	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A,B,C,D	1YP2	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A	1XZC	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.81
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.78
TOS	P-SULFINOTOLUENE	H	1ETT	0.85
TOS	P-SULFINOTOLUENE	I	4PAD	0.85
TOS	P-SULFINOTOLUENE	A	1EST	0.85
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.85
TOS	P-SULFINOTOLUENE	E	1PPH	0.85
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.84
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.84
OXE	ORTHO-XYLENE	A,B	3E0X	0.81
OXE	ORTHO-XYLENE	A	188L	0.81
BDB		A,B	1KE3	0.71
PA0	Phenylarsine oxide	A	3E3Z	0.73
BNZ	BENZENE	A	1L83	0.74
BNZ	BENZENE	A	1CP4	0.74
BNZ	BENZENE	A,B,C,D	1XXJ	0.74
BNZ	BENZENE	B	1SWI	0.74
BNZ	BENZENE	A	181L	0.74
BNZ	BENZENE	A	223L	0.74
BNZ	BENZENE	A	3DMX	0.74
BNZ	BENZENE	A	2Z9G	0.74
BNZ	BENZENE	A	220L	0.74
BNZ	BENZENE	A	227L	0.74
BNZ	BENZENE	A,B	1A7Z	0.74
BNZ	BENZENE	A	1L84	0.74
NPY	NAPHTHALENE	A,B	1O7G	0.71