Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023117

Ligand	Ligand name	Chain	PDB	Tanimoto
BT6	benzenethiol	A,B,C,D	3HSR	0.79
FPR	PROPYLBENZENE	C	1RHK	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.72
2HT	3-methylbenzonitrile	A,B	3F88	0.74
NTS	NAPHTHALENE TRISULFONATE	A	1RML	0.7
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.8
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.85
I4B	ISOBUTYLBENZENE	A	184L	0.86
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.73
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.73
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.73
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.73
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.73
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
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.86
OXE	ORTHO-XYLENE	A	188L	0.86
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.83
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.83
MBN	TOLUENE	A,B	3D7O	0.85
MBN	TOLUENE	A,B	1R1X	0.85
MBN	TOLUENE	A,B	1JLX	0.85
MBN	TOLUENE	A,B,C,D	3D17	0.85
MBN	TOLUENE	A,B	2VRL	0.85
MBN	TOLUENE	A,I	2Z3E	0.85
MBN	TOLUENE	A,B	1YZI	0.85
MBN	TOLUENE	A,B	2DN1	0.85
MBN	TOLUENE	A,B	3EN1	0.85
PXY	PARA-XYLENE	A	187L	0.85
PXY	PARA-XYLENE	A	225L	0.85
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.83
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.91
MAJ	indane-5-sulfonamide	A	2QOA	0.77
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.74
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.74
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.74
SML	PHENYL METHYL SULFONE	A,I	1D6W	0.71
SML	PHENYL METHYL SULFONE	A,I	1D9I	0.71
PYL	PHENYLETHANE	C	1B07	0.89
PYL	PHENYLETHANE	A,B	2VRM	0.89
PYL	PHENYLETHANE	A	1NHB	0.89
BIH	NAPHTHALENE-2,6-DISULFONIC ACID	A	1U4S	0.72
BNZ	BENZENE	A	1L83	0.7
BNZ	BENZENE	A	1CP4	0.7
BNZ	BENZENE	A,B,C,D	1XXJ	0.7
BNZ	BENZENE	B	1SWI	0.7
BNZ	BENZENE	A	181L	0.7
BNZ	BENZENE	A	223L	0.7
BNZ	BENZENE	A	3DMX	0.7
BNZ	BENZENE	A	2Z9G	0.7
BNZ	BENZENE	A	220L	0.7
BNZ	BENZENE	A	227L	0.7
BNZ	BENZENE	A,B	1A7Z	0.7
BNZ	BENZENE	A	1L84	0.7
TOS	P-SULFINOTOLUENE	H	1ETT	0.84
TOS	P-SULFINOTOLUENE	I	4PAD	0.84
TOS	P-SULFINOTOLUENE	A	1EST	0.84
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.84
TOS	P-SULFINOTOLUENE	E	1PPH	0.84
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.8
3PL	3-PHENYLPROPANAL	E	1Y3G	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.71
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.71
N4B	N-BUTYLBENZENE	A	186L	0.89
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.79
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.81
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.81
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.73
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.71
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.71
BNS	HYDROSULFONYLBENZENE	1	1YYY	0.73
BNS	HYDROSULFONYLBENZENE	A	1MEM	0.73
BNS	HYDROSULFONYLBENZENE	A,D,E	1FH0	0.73
BNS	HYDROSULFONYLBENZENE	A,B,C,D	1PQ9	0.73
BDB		A,B	1KE3	0.76
PHG	PHENYLMERCURY	A	1CZS	0.7
260	2-(bromomethyl)-1,3-difluorobenzene	X	2RB0	0.7
NPY	NAPHTHALENE	A,B	1O7G	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.74
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.75
BPS		A,B	2DE4	0.78
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one	A,B	3DEA	0.73
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.74
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.74
DEN	INDENE	A	183L	0.79
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.72