Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014039

Ligand	Ligand name	Chain	PDB	Tanimoto
MAJ	indane-5-sulfonamide	A	2QOA	0.75
BT6	benzenethiol	A,B,C,D	3HSR	0.79
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.71
FPR	PROPYLBENZENE	C	1RHK	0.89
BZB	BENZO[B]THIOPHENE-2-BORONIC ACID	A,B	3FKV	0.72
BZB	BENZO[B]THIOPHENE-2-BORONIC ACID	A,B	1C3B	0.72
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
TOS	P-SULFINOTOLUENE	H	1ETT	0.82
TOS	P-SULFINOTOLUENE	I	4PAD	0.82
TOS	P-SULFINOTOLUENE	A	1EST	0.82
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.82
TOS	P-SULFINOTOLUENE	E	1PPH	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.8
BPS		A,B	2DE4	0.8
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.85
I4B	ISOBUTYLBENZENE	A	184L	0.86
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.81
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.81
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
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.72
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.72
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.86
OXE	ORTHO-XYLENE	A	188L	0.86
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
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
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
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.8
3PL	3-PHENYLPROPANAL	E	1Y3G	0.72
BIH	NAPHTHALENE-2,6-DISULFONIC ACID	A	1U4S	0.7
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
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.88
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
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.73
PHG	PHENYLMERCURY	A	1CZS	0.7
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.71
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
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one	A,B	3DEA	0.73
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.79
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.79
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