Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00095467

Ligand	Ligand name	Chain	PDB	Tanimoto
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.7
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
B28		A,B	2E9A	0.73
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.77
FBC		A,B	2B9A	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
4FC		A	1YSG	0.71
295	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid	A,B	2RJR	0.71
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.78
ANF	ANTHRONE	H	2BJM	0.72
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
ESL	ESTRIOL	A	1X8V	0.71
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL	A	2J7Y	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.78
26C		A,B	2F7I	0.71
B08		A,B	2E99	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.78
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.75
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.75
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.75
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.75
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.75
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.8
EST	ESTRADIOL	A,B	1GWR	0.73
EST	ESTRADIOL	A	1FDS	0.73
EST	ESTRADIOL	A,B,C	1G50	0.73
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.73
EST	ESTRADIOL	A,B	1A52	0.73
EST	ESTRADIOL	A	1FDT	0.73
EST	ESTRADIOL	A	2OCF	0.73
EST	ESTRADIOL	A,B,C	1QKU	0.73
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.73
EST	ESTRADIOL	A	1IOL	0.73
EST	ESTRADIOL	H	1JNN	0.73
EST	ESTRADIOL	B	1QKT	0.73
EST	ESTRADIOL	A	1FDW	0.73
EST	ESTRADIOL	A,B	1AQU	0.73
EST	ESTRADIOL	A	1LHU	0.73
EST	ESTRADIOL	A	1A27	0.73
EST	ESTRADIOL	L	1JGL	0.73
EST	ESTRADIOL	A,B,E,F	1PCG	0.73
EST	ESTRADIOL	A,B,C,D	1FDU	0.73
EST	ESTRADIOL	A	2J7X	0.73
EST	ESTRADIOL	A,B	2D06	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A,P,T	2I9G	0.8
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HWV	0.8
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1MXJ	0.8
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.73
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.71
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.71
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.71
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.71
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.71
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1DL4	0.8
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1I7V	0.8
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1QBY	0.8
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	2ROU	0.8
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HX4	0.8
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.7
269	(1R)-3-chloro-1-phenylpropan-1-ol	A	2RBS	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.74
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.74
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.75
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.75
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.78
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL	A,B	2QGT	0.71
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL	A,B	2G5O	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.71
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.8
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.75
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL	A	1DJD	0.8
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
T3O	4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL	A,B	2G44	0.7
1NP	1-NAPHTHOL	X	2ZVQ	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.7
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	1MCZ	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.79